SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-0fa4243c/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 7 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 chain: 1: _xxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -41.730953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.730953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.730953 (E_RNA) where: Base-Base interactions energy: -17.937 where: short stacking energy: -17.937 Base-Backbone interact. energy: -0.048 local terms energy: -23.746308 where: bonds (distance) C4'-P energy: -3.958 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -34.670110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.670110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.670110 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.097 local terms energy: -20.761119 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -31.338127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338127 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.121 local terms energy: -21.941061 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -36.165857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.165857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.165857 (E_RNA) where: Base-Base interactions energy: -12.919 where: short stacking energy: -12.919 Base-Backbone interact. energy: 1.613 local terms energy: -24.859913 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -29.423785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.423785 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.120 local terms energy: -21.240091 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -32.183029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.183029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.183029 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.002 local terms energy: -20.783135 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -29.138441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.138441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.138441 (E_RNA) where: Base-Base interactions energy: -10.318 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.027 local terms energy: -18.793936 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -26.756932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.756932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.756932 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: 1.362 local terms energy: -19.696433 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -36.240026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240026 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.071 local terms energy: -22.055551 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -27.186347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.186347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.186347 (E_RNA) where: Base-Base interactions energy: -2.880 where: short stacking energy: -2.880 Base-Backbone interact. energy: -0.001 local terms energy: -24.305855 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -40.598688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598688 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.014 local terms energy: -25.846150 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -38.405956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.405956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.405956 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.000 local terms energy: -24.866673 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -38.480588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.480588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.480588 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.032 local terms energy: -25.473714 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -35.043847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.043847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.043847 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.022 local terms energy: -25.918426 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -33.763065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.763065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.763065 (E_RNA) where: Base-Base interactions energy: -12.314 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.076 local terms energy: -21.373562 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -32.187336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.187336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.187336 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.854 Base-Backbone interact. energy: -1.734 local terms energy: -21.598647 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.744 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: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -28.389294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.389294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.389294 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.002 local terms energy: -20.512447 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -36.729186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729186 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.070 local terms energy: -25.885473 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -35.142121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.142121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.142121 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -21.840802 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -4.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -26.420763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.420763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.420763 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.069 local terms energy: -19.023758 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -42.172819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.172819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.172819 (E_RNA) where: Base-Base interactions energy: -16.648 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.000 local terms energy: -25.524420 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -36.617586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.617586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.617586 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -11.840 Base-Backbone interact. energy: -0.000 local terms energy: -24.777998 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -38.682318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.682318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.682318 (E_RNA) where: Base-Base interactions energy: -13.853 where: short stacking energy: -13.853 Base-Backbone interact. energy: -0.005 local terms energy: -24.823714 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -38.001223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.001223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.001223 (E_RNA) where: Base-Base interactions energy: -14.834 where: short stacking energy: -14.834 Base-Backbone interact. energy: -0.000 local terms energy: -23.167304 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -34.015130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.015130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.015130 (E_RNA) where: Base-Base interactions energy: -14.779 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.063 local terms energy: -19.172499 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -1.020 tors. eta vs tors. theta energy: -3.135 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: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -34.087693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087693 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.030 local terms energy: -24.470187 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -32.554909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.554909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.554909 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -11.265 Base-Backbone interact. energy: 0.777 local terms energy: -22.067430 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -29.634031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.634031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.634031 (E_RNA) where: Base-Base interactions energy: -8.869 where: short stacking energy: -8.869 Base-Backbone interact. energy: -0.013 local terms energy: -20.751414 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.513 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -31.060534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.060534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.060534 (E_RNA) where: Base-Base interactions energy: -9.627 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.000 local terms energy: -21.433054 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -28.215905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.215905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.215905 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -9.061 Base-Backbone interact. energy: -0.088 local terms energy: -19.066912 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: 1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -38.316345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.316345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.316345 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: 0.006 local terms energy: -25.321778 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -5.144 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: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -36.696634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.696634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.696634 (E_RNA) where: Base-Base interactions energy: -12.088 where: short stacking energy: -12.088 Base-Backbone interact. energy: -0.003 local terms energy: -24.604764 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -38.016677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.016677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.016677 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.013 local terms energy: -24.887122 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -36.207987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.207987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.207987 (E_RNA) where: Base-Base interactions energy: -12.211 where: short stacking energy: -12.614 Base-Backbone interact. energy: -0.859 local terms energy: -23.137672 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -33.880282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.880282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.880282 (E_RNA) where: Base-Base interactions energy: -12.337 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.000 local terms energy: -21.542657 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -35.843850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.843850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.843850 (E_RNA) where: Base-Base interactions energy: -14.487 where: short stacking energy: -14.487 Base-Backbone interact. energy: -0.001 local terms energy: -21.356235 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -30.657897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.657897 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.790 local terms energy: -19.624922 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: 0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -30.243654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.243654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.243654 (E_RNA) where: Base-Base interactions energy: -10.444 where: short stacking energy: -10.444 Base-Backbone interact. energy: -0.026 local terms energy: -19.773418 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -4.899 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -3.921 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: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -32.292555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.292555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.292555 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.184 local terms energy: -23.808880 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -30.177865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.177865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.177865 (E_RNA) where: Base-Base interactions energy: -10.581 where: short stacking energy: -10.581 Base-Backbone interact. energy: -0.098 local terms energy: -19.499304 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: 0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -38.317960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.317960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.317960 (E_RNA) where: Base-Base interactions energy: -13.592 where: short stacking energy: -13.592 Base-Backbone interact. energy: -0.000 local terms energy: -24.725874 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -2.766 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -39.170528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.170528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.170528 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -17.276 Base-Backbone interact. energy: -0.054 local terms energy: -21.839919 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -5.117 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: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -33.417925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.417925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.417925 (E_RNA) where: Base-Base interactions energy: -12.242 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.028 local terms energy: -21.147524 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -3.527 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.598 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: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -37.448191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.448191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.448191 (E_RNA) where: Base-Base interactions energy: -15.372 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.019 local terms energy: -22.057311 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -38.301544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.301544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.301544 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -12.144 Base-Backbone interact. energy: -0.000 local terms energy: -26.157200 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -1.321 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -35.884377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.884377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.884377 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.000 local terms energy: -21.269626 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -2.137 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -31.894649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.894649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.894649 (E_RNA) where: Base-Base interactions energy: -9.523 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.002 local terms energy: -22.369506 where: bonds (distance) C4'-P energy: -4.301 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -31.483081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.483081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.483081 (E_RNA) where: Base-Base interactions energy: -8.824 where: short stacking energy: -8.824 Base-Backbone interact. energy: -0.020 local terms energy: -22.638318 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -25.947318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.947318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.947318 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -7.806 Base-Backbone interact. energy: -0.007 local terms energy: -18.134977 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: 0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -29.094182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.094182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.094182 (E_RNA) where: Base-Base interactions energy: -9.409 where: short stacking energy: -9.409 Base-Backbone interact. energy: 0.657 local terms energy: -20.341550 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -3.617 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -39.485625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485625 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.017 local terms energy: -25.460694 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -34.814606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.814606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.814606 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.007 local terms energy: -20.663622 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -4.859 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: 3, replica: 7 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -37.187958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.187958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.187958 (E_RNA) where: Base-Base interactions energy: -13.509 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.720 local terms energy: -22.958818 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -36.420585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420585 (E_RNA) where: Base-Base interactions energy: -13.913 where: short stacking energy: -13.913 Base-Backbone interact. energy: -0.005 local terms energy: -22.502551 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -33.443257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.443257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.443257 (E_RNA) where: Base-Base interactions energy: -11.491 where: short stacking energy: -11.491 Base-Backbone interact. energy: -0.093 local terms energy: -21.859194 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -2.371 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: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -29.715502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715502 (E_RNA) where: Base-Base interactions energy: -8.034 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.047 local terms energy: -21.635249 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -3.221 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: 7, replica: 2 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -32.571659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.571659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.571659 (E_RNA) where: Base-Base interactions energy: -12.363 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.010 local terms energy: -20.198771 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -2.225 tors. eta vs tors. theta energy: -0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -30.400538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.400538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.400538 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.294 local terms energy: -22.382221 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -31.742417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.742417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.742417 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.130 local terms energy: -20.737021 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -27.893158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.893158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.893158 (E_RNA) where: Base-Base interactions energy: -7.448 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.011 local terms energy: -20.434021 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -42.250401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.250401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.250401 (E_RNA) where: Base-Base interactions energy: -16.551 where: short stacking energy: -16.551 Base-Backbone interact. energy: -0.067 local terms energy: -25.632805 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -41.880467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.880467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.880467 (E_RNA) where: Base-Base interactions energy: -17.105 where: short stacking energy: -17.105 Base-Backbone interact. energy: -0.000 local terms energy: -24.775144 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -39.531643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.531643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.531643 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.000 local terms energy: -27.244853 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -37.025206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.025206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.025206 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.000 local terms energy: -23.495897 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -34.831630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.831630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.831630 (E_RNA) where: Base-Base interactions energy: -9.975 where: short stacking energy: -9.975 Base-Backbone interact. energy: -0.007 local terms energy: -24.849689 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -33.876157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.876157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.876157 (E_RNA) where: Base-Base interactions energy: -12.141 where: short stacking energy: -12.141 Base-Backbone interact. energy: -0.000 local terms energy: -21.734871 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.410 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -37.023754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023754 (E_RNA) where: Base-Base interactions energy: -15.344 where: short stacking energy: -15.344 Base-Backbone interact. energy: -0.010 local terms energy: -21.669943 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -34.342335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.342335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.342335 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.976 Base-Backbone interact. energy: -0.000 local terms energy: -20.366393 where: bonds (distance) C4'-P energy: -2.607 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -33.151917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151917 (E_RNA) where: Base-Base interactions energy: -9.341 where: short stacking energy: -9.341 Base-Backbone interact. energy: -0.000 local terms energy: -23.810696 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -32.213783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213783 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.001 local terms energy: -18.860162 where: bonds (distance) C4'-P energy: -1.307 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -36.283387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.283387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.283387 (E_RNA) where: Base-Base interactions energy: -11.388 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.044 local terms energy: -24.851512 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -37.566863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566863 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.000 local terms energy: -24.991573 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -0.953 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -37.913672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.913672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.913672 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.000 local terms energy: -26.279296 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -5.769 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: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -35.896502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.896502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.896502 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.016 local terms energy: -22.768151 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.539 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: 5, replica: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -34.672606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.672606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.672606 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -13.244 Base-Backbone interact. energy: -0.000 local terms energy: -21.427759 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -0.977 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -35.010007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.010007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.010007 (E_RNA) where: Base-Base interactions energy: -14.973 where: short stacking energy: -14.973 Base-Backbone interact. energy: -0.000 local terms energy: -20.037357 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -1.969 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -30.967974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.967974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.967974 (E_RNA) where: Base-Base interactions energy: -10.205 where: short stacking energy: -10.205 Base-Backbone interact. energy: -0.079 local terms energy: -20.683817 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -4.415 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: 9 Temperature: 1.250000 Total energy: -30.165818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.165818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.165818 (E_RNA) where: Base-Base interactions energy: -9.101 where: short stacking energy: -9.101 Base-Backbone interact. energy: -0.001 local terms energy: -21.064149 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -26.732620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.732620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.732620 (E_RNA) where: Base-Base interactions energy: -8.379 where: short stacking energy: -8.679 Base-Backbone interact. energy: -0.059 local terms energy: -18.294483 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -4.736 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.997 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: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -30.238253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.238253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.238253 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.003 local terms energy: -20.213136 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: 0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -36.928262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.928262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.928262 (E_RNA) where: Base-Base interactions energy: -15.446 where: short stacking energy: -15.446 Base-Backbone interact. energy: -0.001 local terms energy: -21.481222 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -37.328661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.328661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.328661 (E_RNA) where: Base-Base interactions energy: -14.875 where: short stacking energy: -14.875 Base-Backbone interact. energy: -0.050 local terms energy: -22.403006 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -34.596806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.596806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.596806 (E_RNA) where: Base-Base interactions energy: -11.904 where: short stacking energy: -11.904 Base-Backbone interact. energy: -0.006 local terms energy: -22.687128 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -33.509832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509832 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -11.074 Base-Backbone interact. energy: -0.001 local terms energy: -22.434429 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.905 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: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -33.377878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.377878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.377878 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.069 local terms energy: -20.094006 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -31.598590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.598590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.598590 (E_RNA) where: Base-Base interactions energy: -8.017 where: short stacking energy: -8.017 Base-Backbone interact. energy: -0.062 local terms energy: -23.520390 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -3.655 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: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -30.700389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.700389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.700389 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.000 local terms energy: -19.222292 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: 1.414 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: 8, replica: 3 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -28.345292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.345292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.345292 (E_RNA) where: Base-Base interactions energy: -8.267 where: short stacking energy: -8.267 Base-Backbone interact. energy: -0.032 local terms energy: -20.046525 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: 1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -28.701251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.701251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.701251 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.080 local terms energy: -18.558989 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -2.569 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -29.076642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.076642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.076642 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.022 local terms energy: -21.597974 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -4.040 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: 1, replica: 9 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -39.666714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.666714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.666714 (E_RNA) where: Base-Base interactions energy: -14.294 where: short stacking energy: -14.294 Base-Backbone interact. energy: -0.000 local terms energy: -25.372530 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -34.627461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.627461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.627461 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.000 local terms energy: -23.533120 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -5.489 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -38.253135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.253135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.253135 (E_RNA) where: Base-Base interactions energy: -12.846 where: short stacking energy: -12.846 Base-Backbone interact. energy: -0.000 local terms energy: -25.407196 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -43.586808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.586808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.586808 (E_RNA) where: Base-Base interactions energy: -17.467 where: short stacking energy: -17.467 Base-Backbone interact. energy: -0.000 local terms energy: -26.119406 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -35.928166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.928166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.928166 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.010 local terms energy: -23.022325 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.394 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -33.862738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.862738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.862738 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.065 local terms energy: -20.781143 where: bonds (distance) C4'-P energy: -3.311 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -32.468586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.468586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.468586 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.000 local terms energy: -21.413220 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.146 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: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -35.104795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.104795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.104795 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.096 local terms energy: -21.672872 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -30.123033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.123033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.123033 (E_RNA) where: Base-Base interactions energy: -9.831 where: short stacking energy: -9.831 Base-Backbone interact. energy: -0.000 local terms energy: -20.292248 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -4.426 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: 10, replica: 2 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -27.100755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.100755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.100755 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.125 local terms energy: -17.977270 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: 2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -41.589124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.589124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.589124 (E_RNA) where: Base-Base interactions energy: -12.064 where: short stacking energy: -12.064 Base-Backbone interact. energy: -0.000 local terms energy: -29.524748 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -6.029 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: 9 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -32.735998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.735998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.735998 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.037 local terms energy: -22.610200 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: 0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -36.753136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753136 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -11.144 Base-Backbone interact. energy: -0.000 local terms energy: -25.609385 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -36.497229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.497229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.497229 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -12.202 Base-Backbone interact. energy: -0.008 local terms energy: -24.286593 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.653 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: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -36.665462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.665462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.665462 (E_RNA) where: Base-Base interactions energy: -13.281 where: short stacking energy: -13.281 Base-Backbone interact. energy: -0.063 local terms energy: -23.320694 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -31.025470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.025470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.025470 (E_RNA) where: Base-Base interactions energy: -8.338 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.018 local terms energy: -22.669391 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -5.005 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: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -37.357243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.357243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.357243 (E_RNA) where: Base-Base interactions energy: -13.577 where: short stacking energy: -13.577 Base-Backbone interact. energy: -0.002 local terms energy: -23.778104 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -27.199478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.199478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.199478 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.219 local terms energy: -19.471599 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -31.134037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.134037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.134037 (E_RNA) where: Base-Base interactions energy: -10.279 where: short stacking energy: -10.279 Base-Backbone interact. energy: -0.000 local terms energy: -20.854711 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -33.186636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.186636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.186636 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.024 local terms energy: -21.026081 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -2.402 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: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -40.584313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.584313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.584313 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -17.638 Base-Backbone interact. energy: -0.000 local terms energy: -22.945386 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -38.736931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.736931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.736931 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.000 local terms energy: -25.656209 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -40.613127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.613127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.613127 (E_RNA) where: Base-Base interactions energy: -16.245 where: short stacking energy: -16.245 Base-Backbone interact. energy: -0.024 local terms energy: -24.343965 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -38.951967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951967 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.063 local terms energy: -24.248029 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.939 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: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -33.654929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.654929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.654929 (E_RNA) where: Base-Base interactions energy: -17.496 where: short stacking energy: -13.121 Base-Backbone interact. energy: -0.001 local terms energy: -16.157771 where: bonds (distance) C4'-P energy: -4.153 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -1.851 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -36.775019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.775019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.775019 (E_RNA) where: Base-Base interactions energy: -14.771 where: short stacking energy: -14.771 Base-Backbone interact. energy: -0.000 local terms energy: -22.003615 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -29.818497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.818497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.818497 (E_RNA) where: Base-Base interactions energy: -8.973 where: short stacking energy: -8.973 Base-Backbone interact. energy: -0.000 local terms energy: -20.845803 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -3.337 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: 8, replica: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -31.006855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.006855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.006855 (E_RNA) where: Base-Base interactions energy: -12.968 where: short stacking energy: -12.968 Base-Backbone interact. energy: -0.094 local terms energy: -17.945717 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -34.417479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.417479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.417479 (E_RNA) where: Base-Base interactions energy: -8.556 where: short stacking energy: -8.556 Base-Backbone interact. energy: -0.001 local terms energy: -25.860904 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -28.794022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.794022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.794022 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.022 local terms energy: -20.545176 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -3.737 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -34.386321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.386321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.386321 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: -0.000 local terms energy: -23.472502 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -37.592556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.592556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.592556 (E_RNA) where: Base-Base interactions energy: -15.572 where: short stacking energy: -15.572 Base-Backbone interact. energy: 1.537 local terms energy: -23.558347 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.423 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: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -36.178368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.178368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.178368 (E_RNA) where: Base-Base interactions energy: -12.643 where: short stacking energy: -12.643 Base-Backbone interact. energy: -0.001 local terms energy: -23.535101 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.158 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -34.346548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.346548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.346548 (E_RNA) where: Base-Base interactions energy: -13.620 where: short stacking energy: -13.620 Base-Backbone interact. energy: -0.014 local terms energy: -20.712173 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -33.505365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.505365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.505365 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.001 local terms energy: -23.470825 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -31.077846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077846 (E_RNA) where: Base-Base interactions energy: -13.899 where: short stacking energy: -13.899 Base-Backbone interact. energy: -0.000 local terms energy: -17.179083 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -1.300 flat angles P-C4'-P energy: -3.985 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: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -32.807585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807585 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.061 local terms energy: -23.541165 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -31.944723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.944723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.944723 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.007 local terms energy: -19.829548 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -31.394346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.394346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.394346 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.005 local terms energy: -18.024717 where: bonds (distance) C4'-P energy: -1.602 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -4.161 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: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -31.968538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.968538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.968538 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.005 local terms energy: -20.699038 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -1.921 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: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -40.474130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.474130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.474130 (E_RNA) where: Base-Base interactions energy: -18.711 where: short stacking energy: -18.711 Base-Backbone interact. energy: -0.004 local terms energy: -21.759017 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -40.243145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243145 (E_RNA) where: Base-Base interactions energy: -13.440 where: short stacking energy: -13.440 Base-Backbone interact. energy: -0.000 local terms energy: -26.803019 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -38.853523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.853523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.853523 (E_RNA) where: Base-Base interactions energy: -14.306 where: short stacking energy: -14.306 Base-Backbone interact. energy: -0.007 local terms energy: -24.540797 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -32.243199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.243199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.243199 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.000 local terms energy: -22.301647 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -33.659967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.659967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.659967 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.017 local terms energy: -23.687958 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -38.937959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.937959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.937959 (E_RNA) where: Base-Base interactions energy: -15.616 where: short stacking energy: -15.616 Base-Backbone interact. energy: -0.000 local terms energy: -23.321824 where: bonds (distance) C4'-P energy: -3.857 bonds (distance) P-C4' energy: -4.525 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -32.367317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.367317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.367317 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.032 local terms energy: -23.983193 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -4.228 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: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -32.543703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.543703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.543703 (E_RNA) where: Base-Base interactions energy: -12.980 where: short stacking energy: -12.980 Base-Backbone interact. energy: -0.177 local terms energy: -19.387183 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: 1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -33.415940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.415940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.415940 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.026 local terms energy: -22.555717 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -31.384809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.384809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.384809 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.000 local terms energy: -23.361158 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -41.956610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.956610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.956610 (E_RNA) where: Base-Base interactions energy: -15.970 where: short stacking energy: -15.970 Base-Backbone interact. energy: -0.000 local terms energy: -25.986298 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -42.503500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.503500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.503500 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -14.684 Base-Backbone interact. energy: 0.177 local terms energy: -27.996740 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -39.787973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.787973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.787973 (E_RNA) where: Base-Base interactions energy: -14.394 where: short stacking energy: -14.394 Base-Backbone interact. energy: -0.000 local terms energy: -25.394144 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -37.857636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.857636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.857636 (E_RNA) where: Base-Base interactions energy: -10.823 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.001 local terms energy: -27.033713 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -39.191142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.191142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.191142 (E_RNA) where: Base-Base interactions energy: -13.061 where: short stacking energy: -13.061 Base-Backbone interact. energy: -0.000 local terms energy: -26.130456 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -35.947708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.947708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.947708 (E_RNA) where: Base-Base interactions energy: -14.778 where: short stacking energy: -14.778 Base-Backbone interact. energy: 0.882 local terms energy: -22.051158 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -28.819474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.819474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.819474 (E_RNA) where: Base-Base interactions energy: -9.609 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.140 local terms energy: -19.070704 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.697 flat angles P-C4'-P energy: -4.396 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: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -31.658276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.658276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.658276 (E_RNA) where: Base-Base interactions energy: -7.475 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.000 local terms energy: -24.183502 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -3.934 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: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -24.715925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.715925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.715925 (E_RNA) where: Base-Base interactions energy: -5.575 where: short stacking energy: -5.575 Base-Backbone interact. energy: -0.057 local terms energy: -19.084051 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: 1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -28.835757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.835757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.835757 (E_RNA) where: Base-Base interactions energy: -9.075 where: short stacking energy: -9.075 Base-Backbone interact. energy: -0.000 local terms energy: -19.760506 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: 0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -39.992543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.992543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.992543 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.004 local terms energy: -25.873869 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.131 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: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -39.397895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.397895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.397895 (E_RNA) where: Base-Base interactions energy: -17.670 where: short stacking energy: -17.670 Base-Backbone interact. energy: -0.000 local terms energy: -21.727856 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -32.275438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275438 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.053 local terms energy: -23.749276 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -34.470115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.470115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.470115 (E_RNA) where: Base-Base interactions energy: -12.153 where: short stacking energy: -12.153 Base-Backbone interact. energy: -0.065 local terms energy: -22.251313 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -4.125 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: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -34.827953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.827953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.827953 (E_RNA) where: Base-Base interactions energy: -9.605 where: short stacking energy: -9.605 Base-Backbone interact. energy: -0.000 local terms energy: -25.222796 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.786 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: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -35.686544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.686544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.686544 (E_RNA) where: Base-Base interactions energy: -14.131 where: short stacking energy: -14.131 Base-Backbone interact. energy: -0.009 local terms energy: -21.546533 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -31.980173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.980173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.980173 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.000 local terms energy: -19.871119 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -34.747369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.747369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.747369 (E_RNA) where: Base-Base interactions energy: -16.214 where: short stacking energy: -16.214 Base-Backbone interact. energy: -0.000 local terms energy: -18.533311 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.055 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -4.507 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: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -30.827673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.827673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.827673 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.001 local terms energy: -19.225352 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -2.748 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: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -25.804939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.804939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.804939 (E_RNA) where: Base-Base interactions energy: -5.377 where: short stacking energy: -5.377 Base-Backbone interact. energy: -0.000 local terms energy: -20.427714 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -2.010 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: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -39.693017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.693017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.693017 (E_RNA) where: Base-Base interactions energy: -17.851 where: short stacking energy: -17.851 Base-Backbone interact. energy: -0.001 local terms energy: -21.841301 where: bonds (distance) C4'-P energy: -3.803 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -41.397154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.397154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.397154 (E_RNA) where: Base-Base interactions energy: -13.763 where: short stacking energy: -13.763 Base-Backbone interact. energy: -0.002 local terms energy: -27.631861 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -31.497269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.497269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.497269 (E_RNA) where: Base-Base interactions energy: -12.029 where: short stacking energy: -12.029 Base-Backbone interact. energy: -0.143 local terms energy: -19.325716 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -40.181228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.181228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.181228 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.002 local terms energy: -23.267049 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -34.372174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.372174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.372174 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.451 Base-Backbone interact. energy: -0.000 local terms energy: -20.514604 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -31.107997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.107997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.107997 (E_RNA) where: Base-Base interactions energy: -12.239 where: short stacking energy: -12.239 Base-Backbone interact. energy: -0.090 local terms energy: -18.779132 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -2.072 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: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -34.815258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.815258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.815258 (E_RNA) where: Base-Base interactions energy: -15.131 where: short stacking energy: -15.131 Base-Backbone interact. energy: -0.000 local terms energy: -19.684612 where: bonds (distance) C4'-P energy: -2.599 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -33.794808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794808 (E_RNA) where: Base-Base interactions energy: -11.460 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.001 local terms energy: -22.333297 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -32.067516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.067516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.067516 (E_RNA) where: Base-Base interactions energy: -13.901 where: short stacking energy: -13.901 Base-Backbone interact. energy: 0.315 local terms energy: -18.481124 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -37.073293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.073293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.073293 (E_RNA) where: Base-Base interactions energy: -12.493 where: short stacking energy: -12.493 Base-Backbone interact. energy: -0.000 local terms energy: -24.579810 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -37.985352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.985352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.985352 (E_RNA) where: Base-Base interactions energy: -13.945 where: short stacking energy: -13.945 Base-Backbone interact. energy: -0.002 local terms energy: -24.038338 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -41.172449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.172449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.172449 (E_RNA) where: Base-Base interactions energy: -15.474 where: short stacking energy: -11.763 Base-Backbone interact. energy: -0.005 local terms energy: -25.693197 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -34.985351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.985351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.985351 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.079 local terms energy: -21.177281 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -35.760135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.760135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.760135 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.007 local terms energy: -22.735907 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -30.264180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264180 (E_RNA) where: Base-Base interactions energy: -11.685 where: short stacking energy: -11.685 Base-Backbone interact. energy: -0.000 local terms energy: -18.579508 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -31.745845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745845 (E_RNA) where: Base-Base interactions energy: -13.412 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.000 local terms energy: -18.334005 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -2.540 flat angles C4'-P-C4' energy: -3.159 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -41.050624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.050624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.050624 (E_RNA) where: Base-Base interactions energy: -13.907 where: short stacking energy: -13.907 Base-Backbone interact. energy: 0.314 local terms energy: -27.457842 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -30.807203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.807203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.807203 (E_RNA) where: Base-Base interactions energy: -8.071 where: short stacking energy: -8.233 Base-Backbone interact. energy: -0.100 local terms energy: -22.636044 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -30.335296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335296 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.109 local terms energy: -17.156785 where: bonds (distance) C4'-P energy: -2.873 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: 1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -32.294595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.294595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.294595 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.000 local terms energy: -20.475142 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -2.114 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: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -41.305667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.305667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.305667 (E_RNA) where: Base-Base interactions energy: -16.750 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.049 local terms energy: -24.506503 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -37.320724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.320724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.320724 (E_RNA) where: Base-Base interactions energy: -12.690 where: short stacking energy: -12.690 Base-Backbone interact. energy: -0.001 local terms energy: -24.630256 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -36.368898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.368898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.368898 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.001 local terms energy: -24.982472 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -34.026593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.026593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.026593 (E_RNA) where: Base-Base interactions energy: -13.205 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.005 local terms energy: -20.816417 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -31.251911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.251911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.251911 (E_RNA) where: Base-Base interactions energy: -8.306 where: short stacking energy: -8.306 Base-Backbone interact. energy: -0.000 local terms energy: -22.945568 where: bonds (distance) C4'-P energy: -3.940 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -34.486548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.486548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.486548 (E_RNA) where: Base-Base interactions energy: -10.496 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.000 local terms energy: -23.990492 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -33.783553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.783553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.783553 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.001 local terms energy: -23.593685 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -30.826304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.826304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.826304 (E_RNA) where: Base-Base interactions energy: -12.212 where: short stacking energy: -12.212 Base-Backbone interact. energy: -0.027 local terms energy: -18.587993 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.569 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -29.760858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.760858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.760858 (E_RNA) where: Base-Base interactions energy: -12.977 where: short stacking energy: -12.977 Base-Backbone interact. energy: -0.002 local terms energy: -16.781852 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -2.510 flat angles P-C4'-P energy: -2.257 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: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -31.098777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.098777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.098777 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.070 local terms energy: -21.857458 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.278 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: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -38.650876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650876 (E_RNA) where: Base-Base interactions energy: -13.929 where: short stacking energy: -13.929 Base-Backbone interact. energy: -0.034 local terms energy: -24.687977 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -38.128593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.128593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.128593 (E_RNA) where: Base-Base interactions energy: -11.940 where: short stacking energy: -11.940 Base-Backbone interact. energy: -0.000 local terms energy: -26.189014 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.743 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: 3, replica: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -29.830397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830397 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.065 local terms energy: -20.300347 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -35.758676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.758676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.758676 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -12.701 Base-Backbone interact. energy: -0.712 local terms energy: -22.345773 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -38.622331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.622331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.622331 (E_RNA) where: Base-Base interactions energy: -14.824 where: short stacking energy: -14.824 Base-Backbone interact. energy: -0.001 local terms energy: -23.798029 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -4.657 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -30.916113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.916113 (E_RNA) where: Base-Base interactions energy: -8.840 where: short stacking energy: -8.840 Base-Backbone interact. energy: 0.648 local terms energy: -22.724331 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -4.853 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: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -31.520032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.520032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.520032 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.521 local terms energy: -18.804098 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -1.647 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -31.845493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.845493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.845493 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.020 local terms energy: -20.465118 where: bonds (distance) C4'-P energy: -3.794 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -4.799 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: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -30.787722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787722 (E_RNA) where: Base-Base interactions energy: -8.775 where: short stacking energy: -8.775 Base-Backbone interact. energy: -0.066 local terms energy: -21.946799 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.577 flat angles P-C4'-P energy: -3.385 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: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -28.945441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.945441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.945441 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -8.703 Base-Backbone interact. energy: 0.036 local terms energy: -20.278928 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -4.273 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: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -41.165428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.165428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.165428 (E_RNA) where: Base-Base interactions energy: -16.897 where: short stacking energy: -16.897 Base-Backbone interact. energy: -0.000 local terms energy: -24.268665 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.511 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: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -36.341783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.341783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.341783 (E_RNA) where: Base-Base interactions energy: -17.096 where: short stacking energy: -17.096 Base-Backbone interact. energy: -0.046 local terms energy: -19.200574 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -0.226 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -37.761932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.761932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.761932 (E_RNA) where: Base-Base interactions energy: -13.018 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.074 local terms energy: -24.669955 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -37.888850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.888850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.888850 (E_RNA) where: Base-Base interactions energy: -16.509 where: short stacking energy: -16.509 Base-Backbone interact. energy: -0.000 local terms energy: -21.379954 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.472 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: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -33.919238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919238 (E_RNA) where: Base-Base interactions energy: -14.503 where: short stacking energy: -14.503 Base-Backbone interact. energy: -0.000 local terms energy: -19.416210 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -4.378 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: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -39.120130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.120130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.120130 (E_RNA) where: Base-Base interactions energy: -14.048 where: short stacking energy: -14.048 Base-Backbone interact. energy: -0.017 local terms energy: -25.055167 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -28.600617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.600617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.600617 (E_RNA) where: Base-Base interactions energy: -9.094 where: short stacking energy: -9.094 Base-Backbone interact. energy: -0.002 local terms energy: -19.504918 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -2.343 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -28.663630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663630 (E_RNA) where: Base-Base interactions energy: -9.520 where: short stacking energy: -9.520 Base-Backbone interact. energy: -0.041 local terms energy: -19.101981 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -2.455 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: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -32.934760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.934760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.934760 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: 0.117 local terms energy: -18.181616 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.442 flat angles P-C4'-P energy: -1.287 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -29.176647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.176647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.176647 (E_RNA) where: Base-Base interactions energy: -9.326 where: short stacking energy: -9.326 Base-Backbone interact. energy: -0.348 local terms energy: -19.502615 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -3.817 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.505 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: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -40.106031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.106031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.106031 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.000 local terms energy: -27.580604 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -37.566999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566999 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.000 local terms energy: -24.450932 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -44.409630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.409630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.409630 (E_RNA) where: Base-Base interactions energy: -16.885 where: short stacking energy: -16.885 Base-Backbone interact. energy: -0.000 local terms energy: -27.525088 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -6.787 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: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -38.387729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.387729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.387729 (E_RNA) where: Base-Base interactions energy: -14.818 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.094 local terms energy: -23.475670 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -36.066450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.066450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.066450 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.000 local terms energy: -23.327119 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -3.362 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: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -34.114054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.114054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.114054 (E_RNA) where: Base-Base interactions energy: -9.137 where: short stacking energy: -9.137 Base-Backbone interact. energy: -0.002 local terms energy: -24.975074 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.209 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: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -29.225672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.225672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.225672 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.011 local terms energy: -22.088155 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -2.777 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: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -35.864401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.864401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.864401 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.000 local terms energy: -23.858425 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -27.386308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.386308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.386308 (E_RNA) where: Base-Base interactions energy: -8.526 where: short stacking energy: -8.526 Base-Backbone interact. energy: -0.065 local terms energy: -18.795326 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -27.209752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.209752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.209752 (E_RNA) where: Base-Base interactions energy: -8.643 where: short stacking energy: -8.643 Base-Backbone interact. energy: -0.023 local terms energy: -18.543863 where: bonds (distance) C4'-P energy: -3.447 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -41.039905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.039905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.039905 (E_RNA) where: Base-Base interactions energy: -17.589 where: short stacking energy: -17.589 Base-Backbone interact. energy: -0.046 local terms energy: -23.404960 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -4.464 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: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -41.816472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.816472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.816472 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.000 local terms energy: -25.147926 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -39.112127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.112127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.112127 (E_RNA) where: Base-Base interactions energy: -17.836 where: short stacking energy: -17.836 Base-Backbone interact. energy: -0.002 local terms energy: -21.274122 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -0.671 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -32.511673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.511673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.511673 (E_RNA) where: Base-Base interactions energy: -9.257 where: short stacking energy: -9.257 Base-Backbone interact. energy: -0.067 local terms energy: -23.188034 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -4.716 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: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -35.546460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.546460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.546460 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.001 local terms energy: -22.114011 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -38.409700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409700 (E_RNA) where: Base-Base interactions energy: -17.850 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.000 local terms energy: -20.559871 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.662 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: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -28.703105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.703105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.703105 (E_RNA) where: Base-Base interactions energy: -7.982 where: short stacking energy: -7.982 Base-Backbone interact. energy: -0.002 local terms energy: -20.720042 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -30.932079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.932079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.932079 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.102 local terms energy: -17.478274 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: 0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -29.843242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.843242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.843242 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.169 local terms energy: -18.760356 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -33.835173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.835173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.835173 (E_RNA) where: Base-Base interactions energy: -13.179 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.000 local terms energy: -20.655786 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -2.855 flat angles P-C4'-P energy: -1.050 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -41.365295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.365295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.365295 (E_RNA) where: Base-Base interactions energy: -17.861 where: short stacking energy: -17.861 Base-Backbone interact. energy: -0.053 local terms energy: -23.451563 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.863 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: 2, replica: 10 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -39.232636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.232636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.232636 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.016 local terms energy: -25.302977 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -37.994737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.994737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.994737 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.000 local terms energy: -26.434656 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -5.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -35.474736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.474736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.474736 (E_RNA) where: Base-Base interactions energy: -17.525 where: short stacking energy: -17.525 Base-Backbone interact. energy: -0.019 local terms energy: -17.931069 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -4.902 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -32.146987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146987 (E_RNA) where: Base-Base interactions energy: -7.270 where: short stacking energy: -7.270 Base-Backbone interact. energy: -0.048 local terms energy: -24.829379 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -30.971753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.971753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.971753 (E_RNA) where: Base-Base interactions energy: -10.170 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.015 local terms energy: -20.786579 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -3.136 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -29.593036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593036 (E_RNA) where: Base-Base interactions energy: -8.105 where: short stacking energy: -8.105 Base-Backbone interact. energy: -0.000 local terms energy: -21.487329 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -27.708874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.708874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.708874 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.037 local terms energy: -20.331422 where: bonds (distance) C4'-P energy: -3.117 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -27.348286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.348286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.348286 (E_RNA) where: Base-Base interactions energy: -3.313 where: short stacking energy: -3.313 Base-Backbone interact. energy: -0.016 local terms energy: -24.019238 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.751 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: 25 Temperature: 1.350000 Total energy: -35.561762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.561762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.561762 (E_RNA) where: Base-Base interactions energy: -14.187 where: short stacking energy: -14.187 Base-Backbone interact. energy: -0.000 local terms energy: -21.374218 where: bonds (distance) C4'-P energy: -0.575 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -5.349 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: 26 Temperature: 0.900000 Total energy: -40.752905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.752905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.752905 (E_RNA) where: Base-Base interactions energy: -13.154 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.000 local terms energy: -27.599273 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -40.763306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.763306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.763306 (E_RNA) where: Base-Base interactions energy: -17.850 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.000 local terms energy: -22.912961 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -1.132 tors. eta vs tors. theta energy: -5.143 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: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -36.798135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.798135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.798135 (E_RNA) where: Base-Base interactions energy: -15.741 where: short stacking energy: -15.741 Base-Backbone interact. energy: -0.010 local terms energy: -21.046997 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -0.726 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -36.954628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.954628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.954628 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -14.530 Base-Backbone interact. energy: -0.052 local terms energy: -22.372480 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -32.515004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515004 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.001 local terms energy: -20.652305 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.586 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -38.977513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.977513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.977513 (E_RNA) where: Base-Base interactions energy: -13.018 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.001 local terms energy: -25.958260 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.144 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: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -31.952729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.952729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.952729 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.000 local terms energy: -22.260162 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.332 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: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -32.706856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.706856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.706856 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.013 local terms energy: -22.685708 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.510 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: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -27.184850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.184850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.184850 (E_RNA) where: Base-Base interactions energy: -8.028 where: short stacking energy: -8.028 Base-Backbone interact. energy: 0.292 local terms energy: -19.449063 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -1.097 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -33.009416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.009416 (E_RNA) where: Base-Base interactions energy: -9.064 where: short stacking energy: -9.064 Base-Backbone interact. energy: -0.086 local terms energy: -23.859253 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -39.024391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.024391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.024391 (E_RNA) where: Base-Base interactions energy: -13.411 where: short stacking energy: -13.411 Base-Backbone interact. energy: -0.098 local terms energy: -25.515590 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -4.453 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: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -40.396296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.396296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.396296 (E_RNA) where: Base-Base interactions energy: -16.834 where: short stacking energy: -16.834 Base-Backbone interact. energy: -0.000 local terms energy: -23.562471 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -37.769557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.769557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.769557 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.000 local terms energy: -23.685325 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -35.041759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.041759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.041759 (E_RNA) where: Base-Base interactions energy: -12.976 where: short stacking energy: -12.976 Base-Backbone interact. energy: -0.014 local terms energy: -22.052146 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -33.904241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.904241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.904241 (E_RNA) where: Base-Base interactions energy: -11.827 where: short stacking energy: -11.827 Base-Backbone interact. energy: -0.006 local terms energy: -22.071563 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.303 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: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -32.581562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.581562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.581562 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.003 local terms energy: -22.301954 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -2.140 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: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -28.578441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.578441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.578441 (E_RNA) where: Base-Base interactions energy: -8.600 where: short stacking energy: -8.600 Base-Backbone interact. energy: -0.097 local terms energy: -19.882240 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -2.581 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: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -32.921880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.921880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.921880 (E_RNA) where: Base-Base interactions energy: -9.428 where: short stacking energy: -9.428 Base-Backbone interact. energy: -0.005 local terms energy: -23.489349 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.695 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: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -28.310862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.310862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.310862 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.118 local terms energy: -18.171046 where: bonds (distance) C4'-P energy: -0.575 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -31.509757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.509757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.509757 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.000 local terms energy: -22.324648 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -39.192745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.192745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.192745 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.000 local terms energy: -24.235615 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -38.850451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.850451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.850451 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -12.969 Base-Backbone interact. energy: -0.001 local terms energy: -25.880355 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -35.639875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639875 (E_RNA) where: Base-Base interactions energy: -11.035 where: short stacking energy: -11.035 Base-Backbone interact. energy: -0.094 local terms energy: -24.511372 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -32.022706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.022706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.022706 (E_RNA) where: Base-Base interactions energy: -13.374 where: short stacking energy: -13.374 Base-Backbone interact. energy: -0.001 local terms energy: -18.647351 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.983 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: 28 Temperature: 1.100000 Total energy: -31.763914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.763914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.763914 (E_RNA) where: Base-Base interactions energy: -7.680 where: short stacking energy: -7.680 Base-Backbone interact. energy: -0.000 local terms energy: -24.083949 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -36.559057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.559057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.559057 (E_RNA) where: Base-Base interactions energy: -11.883 where: short stacking energy: -11.883 Base-Backbone interact. energy: -0.050 local terms energy: -24.625717 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -30.250060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.250060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.250060 (E_RNA) where: Base-Base interactions energy: -8.450 where: short stacking energy: -8.450 Base-Backbone interact. energy: -0.098 local terms energy: -21.702584 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.698 flat angles P-C4'-P energy: -4.552 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: 28 Temperature: 1.250000 Total energy: -34.116604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.116604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.116604 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.018 local terms energy: -22.028818 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -28.812390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.812390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.812390 (E_RNA) where: Base-Base interactions energy: -9.573 where: short stacking energy: -9.573 Base-Backbone interact. energy: -0.013 local terms energy: -19.226772 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -3.470 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -2.734 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: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -34.607593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.607593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.607593 (E_RNA) where: Base-Base interactions energy: -12.802 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.000 local terms energy: -21.805666 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -3.541 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -39.007401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.007401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.007401 (E_RNA) where: Base-Base interactions energy: -12.720 where: short stacking energy: -12.720 Base-Backbone interact. energy: -0.000 local terms energy: -26.287671 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -37.248625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.248625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.248625 (E_RNA) where: Base-Base interactions energy: -14.316 where: short stacking energy: -14.316 Base-Backbone interact. energy: -0.002 local terms energy: -22.930473 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.776 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: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -36.674826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.674826 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.965 Base-Backbone interact. energy: -0.043 local terms energy: -23.667242 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -5.259 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: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -39.596778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.596778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.596778 (E_RNA) where: Base-Base interactions energy: -13.383 where: short stacking energy: -13.383 Base-Backbone interact. energy: -0.000 local terms energy: -26.213899 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -36.090923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.090923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.090923 (E_RNA) where: Base-Base interactions energy: -12.725 where: short stacking energy: -13.125 Base-Backbone interact. energy: -0.000 local terms energy: -23.365279 where: bonds (distance) C4'-P energy: -3.643 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.185 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: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -39.425518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.425518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.425518 (E_RNA) where: Base-Base interactions energy: -17.655 where: short stacking energy: -17.655 Base-Backbone interact. energy: -0.000 local terms energy: -21.770379 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -32.310785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.310785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.310785 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.003 local terms energy: -21.808624 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -31.550460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.550460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.550460 (E_RNA) where: Base-Base interactions energy: -8.506 where: short stacking energy: -8.506 Base-Backbone interact. energy: -0.000 local terms energy: -23.044443 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -30.671703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.671703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.671703 (E_RNA) where: Base-Base interactions energy: -9.016 where: short stacking energy: -9.016 Base-Backbone interact. energy: -0.000 local terms energy: -21.655413 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.523 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: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -29.766169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.766169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.766169 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.003 local terms energy: -21.146783 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -3.705 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -40.958455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.958455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.958455 (E_RNA) where: Base-Base interactions energy: -16.711 where: short stacking energy: -16.711 Base-Backbone interact. energy: -0.085 local terms energy: -24.161673 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -5.818 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: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -39.004256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.004256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.004256 (E_RNA) where: Base-Base interactions energy: -12.997 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.052 local terms energy: -25.954554 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -42.817836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.817836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.817836 (E_RNA) where: Base-Base interactions energy: -17.830 where: short stacking energy: -17.830 Base-Backbone interact. energy: -0.000 local terms energy: -24.987692 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -37.565874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.565874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.565874 (E_RNA) where: Base-Base interactions energy: -15.153 where: short stacking energy: -15.153 Base-Backbone interact. energy: -0.000 local terms energy: -22.412585 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -31.569387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.569387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.569387 (E_RNA) where: Base-Base interactions energy: -11.413 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.000 local terms energy: -20.155861 where: bonds (distance) C4'-P energy: -3.697 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -40.064762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.064762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.064762 (E_RNA) where: Base-Base interactions energy: -16.878 where: short stacking energy: -16.878 Base-Backbone interact. energy: -0.001 local terms energy: -23.185333 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -35.610410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.610410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.610410 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.034 local terms energy: -24.152446 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.658 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: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -27.093256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.093256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.093256 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -0.001 local terms energy: -19.010171 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: 1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -28.155064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.155064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.155064 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.021 local terms energy: -21.712853 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.515 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: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -29.782938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.782938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.782938 (E_RNA) where: Base-Base interactions energy: -9.970 where: short stacking energy: -9.970 Base-Backbone interact. energy: -0.039 local terms energy: -19.774237 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -38.800492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.800492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.800492 (E_RNA) where: Base-Base interactions energy: -16.383 where: short stacking energy: -16.383 Base-Backbone interact. energy: -0.000 local terms energy: -22.417833 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -4.604 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: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -34.420924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.420924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.420924 (E_RNA) where: Base-Base interactions energy: -11.449 where: short stacking energy: -11.449 Base-Backbone interact. energy: -0.095 local terms energy: -22.877031 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -33.047315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.047315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.047315 (E_RNA) where: Base-Base interactions energy: -10.335 where: short stacking energy: -10.335 Base-Backbone interact. energy: -0.008 local terms energy: -22.704988 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -34.745127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.745127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.745127 (E_RNA) where: Base-Base interactions energy: -12.962 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.015 local terms energy: -21.768525 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -32.785069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.785069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.785069 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.007 local terms energy: -22.331513 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -30.533935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.533935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.533935 (E_RNA) where: Base-Base interactions energy: -7.624 where: short stacking energy: -7.624 Base-Backbone interact. energy: 0.019 local terms energy: -22.928869 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -34.360910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.360910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.360910 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.098 local terms energy: -21.336554 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -4.107 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: 31 Temperature: 1.250000 Total energy: -36.663113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.663113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.663113 (E_RNA) where: Base-Base interactions energy: -12.905 where: short stacking energy: -12.905 Base-Backbone interact. energy: -0.000 local terms energy: -23.757415 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.796 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: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -31.573328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573328 (E_RNA) where: Base-Base interactions energy: -12.431 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.003 local terms energy: -19.139792 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -3.269 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -31.077354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077354 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.000 local terms energy: -22.084027 where: bonds (distance) C4'-P energy: -2.127 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -41.296598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.296598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.296598 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.008 local terms energy: -25.113133 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.510 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: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -41.393684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.393684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.393684 (E_RNA) where: Base-Base interactions energy: -18.767 where: short stacking energy: -18.767 Base-Backbone interact. energy: -0.002 local terms energy: -22.623889 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -4.373 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: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -33.698573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.698573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.698573 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.000 local terms energy: -22.830365 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -36.026540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.026540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.026540 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.000 local terms energy: -25.753714 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -31.971594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.971594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.971594 (E_RNA) where: Base-Base interactions energy: -7.042 where: short stacking energy: -7.042 Base-Backbone interact. energy: -0.005 local terms energy: -24.924895 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -42.063510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.063510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.063510 (E_RNA) where: Base-Base interactions energy: -16.851 where: short stacking energy: -16.851 Base-Backbone interact. energy: -0.000 local terms energy: -25.212751 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -4.315 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: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -32.669351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.669351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.669351 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.052 local terms energy: -21.944692 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -29.307477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.307477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.307477 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.000 local terms energy: -22.339303 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.119 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: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -29.757022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.757022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.757022 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.006 local terms energy: -22.480160 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -28.406603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.406603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.406603 (E_RNA) where: Base-Base interactions energy: -8.882 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.118 local terms energy: -19.406092 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -39.677911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.677911 (E_RNA) where: Base-Base interactions energy: -16.691 where: short stacking energy: -16.691 Base-Backbone interact. energy: -0.000 local terms energy: -22.987067 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -39.020814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.020814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.020814 (E_RNA) where: Base-Base interactions energy: -14.438 where: short stacking energy: -14.438 Base-Backbone interact. energy: -0.000 local terms energy: -24.582917 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.479 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: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -37.647352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647352 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.006 local terms energy: -21.952065 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -4.968 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: 4, replica: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -39.947292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.947292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.947292 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.001 local terms energy: -26.668945 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -37.334063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.334063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.334063 (E_RNA) where: Base-Base interactions energy: -13.073 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.096 local terms energy: -24.165298 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.878 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: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -30.490917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.490917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.490917 (E_RNA) where: Base-Base interactions energy: -8.662 where: short stacking energy: -8.662 Base-Backbone interact. energy: -0.000 local terms energy: -21.828723 where: bonds (distance) C4'-P energy: -3.347 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -28.749981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.749981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.749981 (E_RNA) where: Base-Base interactions energy: -7.654 where: short stacking energy: -7.654 Base-Backbone interact. energy: -0.131 local terms energy: -20.964796 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.899 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -28.379781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.379781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.379781 (E_RNA) where: Base-Base interactions energy: -4.383 where: short stacking energy: -4.383 Base-Backbone interact. energy: -0.080 local terms energy: -23.917301 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.386 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: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -29.439907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.439907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.439907 (E_RNA) where: Base-Base interactions energy: -6.249 where: short stacking energy: -6.249 Base-Backbone interact. energy: -0.070 local terms energy: -23.121200 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -3.802 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: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -26.564175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.564175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.564175 (E_RNA) where: Base-Base interactions energy: -9.241 where: short stacking energy: -9.241 Base-Backbone interact. energy: -0.056 local terms energy: -17.268082 where: bonds (distance) C4'-P energy: -0.277 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -41.133012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.133012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.133012 (E_RNA) where: Base-Base interactions energy: -13.942 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.003 local terms energy: -27.188619 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -38.548075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.548075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.548075 (E_RNA) where: Base-Base interactions energy: -12.118 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.007 local terms energy: -26.423321 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -4.684 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: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -36.084019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.084019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.084019 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.009 local terms energy: -22.350232 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.544 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: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -37.805221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.805221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.805221 (E_RNA) where: Base-Base interactions energy: -15.587 where: short stacking energy: -15.587 Base-Backbone interact. energy: -0.072 local terms energy: -22.145481 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.688 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: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -36.568696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.568696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.568696 (E_RNA) where: Base-Base interactions energy: -14.035 where: short stacking energy: -14.035 Base-Backbone interact. energy: -0.124 local terms energy: -22.409222 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -4.558 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: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -35.466908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.466908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.466908 (E_RNA) where: Base-Base interactions energy: -14.696 where: short stacking energy: -14.696 Base-Backbone interact. energy: -0.001 local terms energy: -20.770781 where: bonds (distance) C4'-P energy: -2.128 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -33.475002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.475002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.475002 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -14.593 Base-Backbone interact. energy: -0.004 local terms energy: -18.877556 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -29.139597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.139597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.139597 (E_RNA) where: Base-Base interactions energy: -4.299 where: short stacking energy: -4.418 Base-Backbone interact. energy: -0.221 local terms energy: -24.619545 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -32.640501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.640501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.640501 (E_RNA) where: Base-Base interactions energy: -9.606 where: short stacking energy: -9.606 Base-Backbone interact. energy: -0.075 local terms energy: -22.959658 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -4.598 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: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -28.113399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.113399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.113399 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.000 local terms energy: -21.164157 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -42.446587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.446587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.446587 (E_RNA) where: Base-Base interactions energy: -13.601 where: short stacking energy: -13.601 Base-Backbone interact. energy: -0.000 local terms energy: -28.845535 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -7.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -39.504337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.504337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.504337 (E_RNA) where: Base-Base interactions energy: -14.558 where: short stacking energy: -14.558 Base-Backbone interact. energy: -0.004 local terms energy: -24.942197 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -40.135362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.135362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.135362 (E_RNA) where: Base-Base interactions energy: -14.714 where: short stacking energy: -13.980 Base-Backbone interact. energy: -0.005 local terms energy: -25.416631 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -36.776520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.776520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.776520 (E_RNA) where: Base-Base interactions energy: -12.580 where: short stacking energy: -12.580 Base-Backbone interact. energy: -0.016 local terms energy: -24.180691 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.590 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: 5, replica: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -35.552551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.552551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.552551 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.056 local terms energy: -25.253736 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -32.626108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.626108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.626108 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -10.741 Base-Backbone interact. energy: -0.002 local terms energy: -21.882598 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.070 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: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -30.353788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.353788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.353788 (E_RNA) where: Base-Base interactions energy: -9.386 where: short stacking energy: -9.386 Base-Backbone interact. energy: -0.005 local terms energy: -20.963034 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -30.298804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298804 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.027 local terms energy: -19.301780 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -2.457 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: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -29.366403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.366403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.366403 (E_RNA) where: Base-Base interactions energy: -9.690 where: short stacking energy: -9.690 Base-Backbone interact. energy: -0.008 local terms energy: -19.668612 where: bonds (distance) C4'-P energy: -2.942 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -30.964204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.964204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.964204 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.000 local terms energy: -22.199636 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -1.630 tors. eta vs tors. theta energy: -4.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -39.597162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.597162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.597162 (E_RNA) where: Base-Base interactions energy: -13.047 where: short stacking energy: -13.047 Base-Backbone interact. energy: -0.037 local terms energy: -26.513146 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -34.612073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.612073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.612073 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.070 local terms energy: -24.586921 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -35.782534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.782534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.782534 (E_RNA) where: Base-Base interactions energy: -10.330 where: short stacking energy: -10.330 Base-Backbone interact. energy: -0.024 local terms energy: -25.428479 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -38.243835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.243835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.243835 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.000 local terms energy: -25.130477 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -36.716325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716325 (E_RNA) where: Base-Base interactions energy: -13.983 where: short stacking energy: -13.983 Base-Backbone interact. energy: -1.312 local terms energy: -21.420627 where: bonds (distance) C4'-P energy: -3.192 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -34.564877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.564877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.564877 (E_RNA) where: Base-Base interactions energy: -12.176 where: short stacking energy: -12.176 Base-Backbone interact. energy: -0.008 local terms energy: -22.380273 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -34.106231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.106231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.106231 (E_RNA) where: Base-Base interactions energy: -13.185 where: short stacking energy: -13.659 Base-Backbone interact. energy: -0.038 local terms energy: -20.883421 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -33.445996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.445996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.445996 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.051 local terms energy: -21.494751 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -29.245603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.245603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.245603 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.009 local terms energy: -19.300184 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.546 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: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -33.066170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.066170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.066170 (E_RNA) where: Base-Base interactions energy: -11.177 where: short stacking energy: -11.177 Base-Backbone interact. energy: -0.000 local terms energy: -21.889528 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -41.116197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.116197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.116197 (E_RNA) where: Base-Base interactions energy: -17.457 where: short stacking energy: -17.457 Base-Backbone interact. energy: -0.006 local terms energy: -23.653157 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.263 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -38.359692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.359692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.359692 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.003 local terms energy: -25.644079 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -33.482040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482040 (E_RNA) where: Base-Base interactions energy: -11.455 where: short stacking energy: -11.455 Base-Backbone interact. energy: -0.000 local terms energy: -22.027257 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -2.765 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: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -35.519463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.519463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.519463 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.016 local terms energy: -24.452791 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -31.826829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826829 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.677 local terms energy: -19.139248 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -1.957 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: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -32.874604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874604 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -9.195 Base-Backbone interact. energy: -0.006 local terms energy: -23.673593 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -32.341808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.341808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.341808 (E_RNA) where: Base-Base interactions energy: -13.127 where: short stacking energy: -13.127 Base-Backbone interact. energy: -0.047 local terms energy: -19.168653 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.895 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: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -34.996846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.996846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.996846 (E_RNA) where: Base-Base interactions energy: -11.245 where: short stacking energy: -11.245 Base-Backbone interact. energy: -0.001 local terms energy: -23.751076 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -35.473499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.473499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.473499 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.001 local terms energy: -24.656374 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -31.102059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.102059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.102059 (E_RNA) where: Base-Base interactions energy: -9.718 where: short stacking energy: -9.718 Base-Backbone interact. energy: -0.004 local terms energy: -21.380360 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -37.614313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614313 (E_RNA) where: Base-Base interactions energy: -12.118 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.000 local terms energy: -25.496476 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -40.487487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.487487 (E_RNA) where: Base-Base interactions energy: -13.623 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.014 local terms energy: -26.849768 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.827 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: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -35.963847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.963847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.963847 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.053 local terms energy: -22.602477 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.222 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: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -37.118512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.118512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.118512 (E_RNA) where: Base-Base interactions energy: -13.480 where: short stacking energy: -13.480 Base-Backbone interact. energy: -0.161 local terms energy: -23.477706 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -34.376044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376044 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.000 local terms energy: -25.440889 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -34.063903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.063903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.063903 (E_RNA) where: Base-Base interactions energy: -8.434 where: short stacking energy: -8.434 Base-Backbone interact. energy: -0.414 local terms energy: -25.215450 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -27.208159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.208159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.208159 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -6.708 Base-Backbone interact. energy: -0.000 local terms energy: -19.318758 where: bonds (distance) C4'-P energy: -2.930 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -27.764715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.764715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.764715 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.424 local terms energy: -19.060632 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -2.020 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: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -25.470127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.470127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.470127 (E_RNA) where: Base-Base interactions energy: -2.701 where: short stacking energy: -2.701 Base-Backbone interact. energy: -0.089 local terms energy: -22.680588 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.573 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: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -28.581055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.581055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.581055 (E_RNA) where: Base-Base interactions energy: -6.767 where: short stacking energy: -6.767 Base-Backbone interact. energy: -0.000 local terms energy: -21.814139 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.389 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: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -38.900748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.900748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.900748 (E_RNA) where: Base-Base interactions energy: -14.108 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.000 local terms energy: -24.792733 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -36.681592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.681592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.681592 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.074 local terms energy: -24.704919 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -34.144044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.144044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.144044 (E_RNA) where: Base-Base interactions energy: -12.649 where: short stacking energy: -12.649 Base-Backbone interact. energy: -0.099 local terms energy: -21.395589 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -33.878878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.878878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.878878 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.000 local terms energy: -23.961113 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -4.962 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: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -31.422423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.422423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.422423 (E_RNA) where: Base-Base interactions energy: -11.482 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.013 local terms energy: -19.927940 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -2.703 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: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -33.244522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.244522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.244522 (E_RNA) where: Base-Base interactions energy: -11.692 where: short stacking energy: -11.692 Base-Backbone interact. energy: 0.905 local terms energy: -22.457680 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -31.361049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361049 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.080 local terms energy: -19.323771 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.053 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: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -35.120031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.120031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.120031 (E_RNA) where: Base-Base interactions energy: -9.788 where: short stacking energy: -9.788 Base-Backbone interact. energy: -0.000 local terms energy: -25.331782 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -32.273021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.273021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.273021 (E_RNA) where: Base-Base interactions energy: -9.346 where: short stacking energy: -9.346 Base-Backbone interact. energy: -0.004 local terms energy: -22.922941 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -29.255280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.255280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.255280 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.103 local terms energy: -21.434423 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -45.181641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.181641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.181641 (E_RNA) where: Base-Base interactions energy: -18.672 where: short stacking energy: -18.672 Base-Backbone interact. energy: -0.002 local terms energy: -26.508078 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -42.723958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.723958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.723958 (E_RNA) where: Base-Base interactions energy: -17.085 where: short stacking energy: -17.085 Base-Backbone interact. energy: -0.000 local terms energy: -25.638892 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.189 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: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -37.493023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.493023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.493023 (E_RNA) where: Base-Base interactions energy: -13.082 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.000 local terms energy: -24.410683 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -3.154 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: 4, replica: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -41.076941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.076941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.076941 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.000 local terms energy: -23.448874 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -0.521 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -35.072701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.072701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.072701 (E_RNA) where: Base-Base interactions energy: -10.694 where: short stacking energy: -10.694 Base-Backbone interact. energy: -0.004 local terms energy: -24.375302 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -32.046171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.046171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.046171 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -9.408 Base-Backbone interact. energy: -0.002 local terms energy: -21.210273 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -33.442198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.442198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.442198 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.003 local terms energy: -18.759495 where: bonds (distance) C4'-P energy: -2.463 bonds (distance) P-C4' energy: -6.396 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -2.361 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -30.713024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.713024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.713024 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.006 local terms energy: -23.695637 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -33.143314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.143314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.143314 (E_RNA) where: Base-Base interactions energy: -11.297 where: short stacking energy: -11.297 Base-Backbone interact. energy: -0.066 local terms energy: -21.779539 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -31.294858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.294858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.294858 (E_RNA) where: Base-Base interactions energy: -7.684 where: short stacking energy: -7.684 Base-Backbone interact. energy: -0.061 local terms energy: -23.549447 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -46.851844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.851844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.851844 (E_RNA) where: Base-Base interactions energy: -18.266 where: short stacking energy: -18.266 Base-Backbone interact. energy: -0.001 local terms energy: -28.585070 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -7.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -36.449732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449732 (E_RNA) where: Base-Base interactions energy: -12.906 where: short stacking energy: -12.906 Base-Backbone interact. energy: -0.000 local terms energy: -23.543827 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -32.326902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.326902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.326902 (E_RNA) where: Base-Base interactions energy: -13.307 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.002 local terms energy: -19.018206 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: 0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -40.023874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.023874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.023874 (E_RNA) where: Base-Base interactions energy: -13.716 where: short stacking energy: -13.716 Base-Backbone interact. energy: -0.000 local terms energy: -26.307666 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -37.571084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.571084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.571084 (E_RNA) where: Base-Base interactions energy: -14.509 where: short stacking energy: -14.509 Base-Backbone interact. energy: -0.011 local terms energy: -23.051031 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -39.104667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.104667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.104667 (E_RNA) where: Base-Base interactions energy: -15.295 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.003 local terms energy: -23.806924 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -29.975253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.975253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.975253 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.022 local terms energy: -20.418669 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -32.649225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.649225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.649225 (E_RNA) where: Base-Base interactions energy: -12.795 where: short stacking energy: -12.795 Base-Backbone interact. energy: -0.059 local terms energy: -19.795271 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -2.282 flat angles P-C4'-P energy: -4.008 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: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -30.429970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.429970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.429970 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.014 local terms energy: -22.359255 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -4.876 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -30.054542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.054542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.054542 (E_RNA) where: Base-Base interactions energy: -9.976 where: short stacking energy: -9.245 Base-Backbone interact. energy: -0.056 local terms energy: -20.023102 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -2.908 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: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -42.902460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.902460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.902460 (E_RNA) where: Base-Base interactions energy: -14.094 where: short stacking energy: -14.094 Base-Backbone interact. energy: -0.000 local terms energy: -28.808467 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -38.370566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.370566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.370566 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -14.530 Base-Backbone interact. energy: -0.003 local terms energy: -23.836862 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -39.079996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.079996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.079996 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.000 local terms energy: -26.855888 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -33.698674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.698674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.698674 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.006 local terms energy: -24.658023 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -3.679 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: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -32.454511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.454511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.454511 (E_RNA) where: Base-Base interactions energy: -9.809 where: short stacking energy: -9.487 Base-Backbone interact. energy: -0.002 local terms energy: -22.643500 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -4.957 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: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -32.503135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.503135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.503135 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -16.268 Base-Backbone interact. energy: -0.000 local terms energy: -16.235287 where: bonds (distance) C4'-P energy: -0.717 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -32.554099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.554099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.554099 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.072 local terms energy: -21.113490 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -30.707648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.707648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.707648 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.000 local terms energy: -22.769806 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -28.245194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.245194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.245194 (E_RNA) where: Base-Base interactions energy: -13.457 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.027 local terms energy: -14.761327 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -2.930 flat angles P-C4'-P energy: -1.201 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -27.320277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.320277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.320277 (E_RNA) where: Base-Base interactions energy: -9.518 where: short stacking energy: -9.518 Base-Backbone interact. energy: -0.010 local terms energy: -17.792434 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -2.774 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -40.607175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.607175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.607175 (E_RNA) where: Base-Base interactions energy: -17.112 where: short stacking energy: -17.112 Base-Backbone interact. energy: -0.025 local terms energy: -23.470443 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -36.782962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.782962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.782962 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.000 local terms energy: -23.666777 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.860 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: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -33.002629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.002629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.002629 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.055 local terms energy: -20.408715 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.812 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: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -37.491222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.491222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.491222 (E_RNA) where: Base-Base interactions energy: -17.455 where: short stacking energy: -17.455 Base-Backbone interact. energy: -0.000 local terms energy: -20.035978 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -2.861 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: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -31.285644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.285644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.285644 (E_RNA) where: Base-Base interactions energy: -7.178 where: short stacking energy: -7.178 Base-Backbone interact. energy: -0.047 local terms energy: -24.061110 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -34.268618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.268618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.268618 (E_RNA) where: Base-Base interactions energy: -11.794 where: short stacking energy: -11.994 Base-Backbone interact. energy: -0.004 local terms energy: -22.470909 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -38.729818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.729818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.729818 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.000 local terms energy: -26.066989 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -26.883361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.883361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.883361 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.096 local terms energy: -19.075968 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: 0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -29.251856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.251856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.251856 (E_RNA) where: Base-Base interactions energy: -9.356 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.013 local terms energy: -19.883229 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -31.376764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.376764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.376764 (E_RNA) where: Base-Base interactions energy: -12.344 where: short stacking energy: -12.344 Base-Backbone interact. energy: 0.057 local terms energy: -19.089797 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: 0.091 tors. eta vs tors. theta energy: -3.858 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: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -40.795275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.795275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.795275 (E_RNA) where: Base-Base interactions energy: -18.545 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.000 local terms energy: -22.250678 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -40.308610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.308610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.308610 (E_RNA) where: Base-Base interactions energy: -14.082 where: short stacking energy: -14.082 Base-Backbone interact. energy: -0.006 local terms energy: -26.219708 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -4.524 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: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -37.245825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.245825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.245825 (E_RNA) where: Base-Base interactions energy: -17.679 where: short stacking energy: -17.679 Base-Backbone interact. energy: -0.004 local terms energy: -19.562517 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -3.405 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: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -32.583697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583697 (E_RNA) where: Base-Base interactions energy: -8.175 where: short stacking energy: -8.175 Base-Backbone interact. energy: -0.004 local terms energy: -24.404065 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -35.958609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.958609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.958609 (E_RNA) where: Base-Base interactions energy: -10.903 where: short stacking energy: -10.903 Base-Backbone interact. energy: -0.004 local terms energy: -25.051927 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -4.962 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: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -38.686471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.686471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.686471 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.010 local terms energy: -26.659372 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -5.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -31.017565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.017565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.017565 (E_RNA) where: Base-Base interactions energy: -11.054 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.000 local terms energy: -19.963188 where: bonds (distance) C4'-P energy: -3.254 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -30.784204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.784204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.784204 (E_RNA) where: Base-Base interactions energy: -9.071 where: short stacking energy: -9.071 Base-Backbone interact. energy: -0.004 local terms energy: -21.709459 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.850 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: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -32.895075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.895075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.895075 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: -0.000 local terms energy: -19.029022 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -33.047815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.047815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.047815 (E_RNA) where: Base-Base interactions energy: -13.575 where: short stacking energy: -13.575 Base-Backbone interact. energy: -0.001 local terms energy: -19.471408 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.161 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: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -40.638649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.638649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.638649 (E_RNA) where: Base-Base interactions energy: -15.305 where: short stacking energy: -15.305 Base-Backbone interact. energy: -0.000 local terms energy: -25.333239 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -33.234175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.234175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.234175 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.004 local terms energy: -23.026904 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -38.181782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.181782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.181782 (E_RNA) where: Base-Base interactions energy: -11.508 where: short stacking energy: -11.508 Base-Backbone interact. energy: -0.009 local terms energy: -26.664757 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -37.661352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.661352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.661352 (E_RNA) where: Base-Base interactions energy: -14.439 where: short stacking energy: -14.439 Base-Backbone interact. energy: -0.000 local terms energy: -23.222452 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -35.625083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.625083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.625083 (E_RNA) where: Base-Base interactions energy: -13.026 where: short stacking energy: -13.026 Base-Backbone interact. energy: -0.000 local terms energy: -22.599429 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.701 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -34.064977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.064977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.064977 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.931 local terms energy: -20.562012 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -36.525673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.525673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.525673 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.012 local terms energy: -23.857241 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -30.487828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487828 (E_RNA) where: Base-Base interactions energy: -12.993 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.000 local terms energy: -17.494852 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -3.162 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -31.109067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.109067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.109067 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.055 local terms energy: -21.879483 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.103 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: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -28.113512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.113512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.113512 (E_RNA) where: Base-Base interactions energy: -8.378 where: short stacking energy: -8.378 Base-Backbone interact. energy: 0.441 local terms energy: -20.176991 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -42.386271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.386271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.386271 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -11.857 Base-Backbone interact. energy: -0.000 local terms energy: -30.528859 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -34.835162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.835162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.835162 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.000 local terms energy: -23.752731 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -37.365994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.365994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.365994 (E_RNA) where: Base-Base interactions energy: -13.223 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.006 local terms energy: -24.137019 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.393 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: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -35.786479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.786479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.786479 (E_RNA) where: Base-Base interactions energy: -12.372 where: short stacking energy: -12.372 Base-Backbone interact. energy: -0.001 local terms energy: -23.414291 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -2.866 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: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -36.616035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616035 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.005 local terms energy: -22.613135 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -33.432959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432959 (E_RNA) where: Base-Base interactions energy: -7.786 where: short stacking energy: -7.786 Base-Backbone interact. energy: -0.000 local terms energy: -25.646868 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -32.355144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.355144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.355144 (E_RNA) where: Base-Base interactions energy: -9.317 where: short stacking energy: -9.317 Base-Backbone interact. energy: -0.000 local terms energy: -23.037383 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.626 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: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -31.101647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.101647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.101647 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.000 local terms energy: -20.676832 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.588 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: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -32.707613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.707613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.707613 (E_RNA) where: Base-Base interactions energy: -9.602 where: short stacking energy: -9.602 Base-Backbone interact. energy: -0.005 local terms energy: -23.100910 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -28.947620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.947620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.947620 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.046 local terms energy: -19.902021 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.252 flat angles P-C4'-P energy: -3.269 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: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -39.549299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.549299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.549299 (E_RNA) where: Base-Base interactions energy: -16.462 where: short stacking energy: -16.462 Base-Backbone interact. energy: -0.001 local terms energy: -23.085931 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -4.657 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: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -37.877985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.877985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.877985 (E_RNA) where: Base-Base interactions energy: -13.502 where: short stacking energy: -13.502 Base-Backbone interact. energy: -0.038 local terms energy: -24.337586 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -35.941662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.941662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.941662 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.247 Base-Backbone interact. energy: -0.029 local terms energy: -24.665425 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -36.516653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.516653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.516653 (E_RNA) where: Base-Base interactions energy: -14.149 where: short stacking energy: -14.152 Base-Backbone interact. energy: -0.006 local terms energy: -22.361818 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -34.691624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.691624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.691624 (E_RNA) where: Base-Base interactions energy: -12.949 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.005 local terms energy: -21.737283 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -34.436206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.436206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.436206 (E_RNA) where: Base-Base interactions energy: -14.897 where: short stacking energy: -14.897 Base-Backbone interact. energy: -0.001 local terms energy: -19.538826 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.468 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: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -28.562303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.562303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.562303 (E_RNA) where: Base-Base interactions energy: -8.840 where: short stacking energy: -8.840 Base-Backbone interact. energy: -0.153 local terms energy: -19.569223 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -31.019505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.019505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.019505 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.029 local terms energy: -21.430240 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.689 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: 47 Temperature: 1.300000 Total energy: -28.577212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.577212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.577212 (E_RNA) where: Base-Base interactions energy: -9.464 where: short stacking energy: -9.464 Base-Backbone interact. energy: -0.000 local terms energy: -19.113052 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -1.795 flat angles P-C4'-P energy: -4.425 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: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -27.344806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.344806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.344806 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.071 local terms energy: -19.243740 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.623 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: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -33.450945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.450945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.450945 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.019 local terms energy: -22.640803 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -39.642161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.642161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.642161 (E_RNA) where: Base-Base interactions energy: -14.670 where: short stacking energy: -14.670 Base-Backbone interact. energy: -0.001 local terms energy: -24.970688 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -3.663 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: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -38.341632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.341632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.341632 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.976 Base-Backbone interact. energy: -0.000 local terms energy: -24.365337 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -1.737 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -35.199468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.199468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.199468 (E_RNA) where: Base-Base interactions energy: -11.981 where: short stacking energy: -11.981 Base-Backbone interact. energy: -0.000 local terms energy: -23.218819 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -35.594570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.594570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.594570 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.059 local terms energy: -22.869537 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -29.499706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.499706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.499706 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.135 local terms energy: -19.916658 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -34.066524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.066524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.066524 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.094 local terms energy: -23.285144 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -5.038 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: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -29.730992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.730992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.730992 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.062 local terms energy: -21.548671 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -4.622 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: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -29.712458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712458 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.001 local terms energy: -15.797919 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -2.507 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: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -29.946237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.946237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.946237 (E_RNA) where: Base-Base interactions energy: -6.102 where: short stacking energy: -6.302 Base-Backbone interact. energy: -0.508 local terms energy: -23.336694 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -42.960248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.960248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.960248 (E_RNA) where: Base-Base interactions energy: -14.602 where: short stacking energy: -14.602 Base-Backbone interact. energy: -0.015 local terms energy: -28.343781 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -38.413428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.413428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.413428 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.000 local terms energy: -22.973331 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -37.297914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.297914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.297914 (E_RNA) where: Base-Base interactions energy: -15.971 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.000 local terms energy: -21.327044 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -0.552 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -34.857225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.857225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.857225 (E_RNA) where: Base-Base interactions energy: -11.448 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.457 local terms energy: -22.951873 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.165 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: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -30.915779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.915779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.915779 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.031 local terms energy: -22.120244 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -2.389 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: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -31.697448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.697448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.697448 (E_RNA) where: Base-Base interactions energy: -12.967 where: short stacking energy: -12.967 Base-Backbone interact. energy: -0.030 local terms energy: -18.699841 where: bonds (distance) C4'-P energy: -3.025 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -3.806 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: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -32.362847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.362847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.362847 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -19.061124 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -31.936082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.936082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.936082 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.029 local terms energy: -20.563734 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -3.701 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: 9, replica: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -28.487014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.487014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.487014 (E_RNA) where: Base-Base interactions energy: -9.229 where: short stacking energy: -9.229 Base-Backbone interact. energy: -0.021 local terms energy: -19.236843 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -33.695562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695562 (E_RNA) where: Base-Base interactions energy: -14.459 where: short stacking energy: -14.459 Base-Backbone interact. energy: -0.000 local terms energy: -19.236716 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: 0.659 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -41.371259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.371259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.371259 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.002 local terms energy: -26.638566 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -40.659395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.659395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.659395 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -14.430 Base-Backbone interact. energy: -0.000 local terms energy: -26.229610 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.658 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: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -40.053165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.053165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.053165 (E_RNA) where: Base-Base interactions energy: -14.685 where: short stacking energy: -14.685 Base-Backbone interact. energy: -0.000 local terms energy: -25.368399 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -5.457 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: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -34.506098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.506098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.506098 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.001 local terms energy: -20.494138 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.529 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: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -40.422517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.422517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.422517 (E_RNA) where: Base-Base interactions energy: -12.792 where: short stacking energy: -12.792 Base-Backbone interact. energy: -2.199 local terms energy: -25.432217 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -32.606201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.606201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.606201 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.366 Base-Backbone interact. energy: 0.546 local terms energy: -22.932353 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -32.203689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203689 (E_RNA) where: Base-Base interactions energy: -9.377 where: short stacking energy: -9.377 Base-Backbone interact. energy: -0.000 local terms energy: -22.826193 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.203 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: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -31.534292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534292 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.255 local terms energy: -19.043708 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -3.718 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: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -29.146220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.146220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.146220 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.079 local terms energy: -17.162046 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -0.177 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -32.213637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213637 (E_RNA) where: Base-Base interactions energy: -8.366 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.045 local terms energy: -23.802002 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -37.245882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.245882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.245882 (E_RNA) where: Base-Base interactions energy: -12.562 where: short stacking energy: -12.562 Base-Backbone interact. energy: -0.000 local terms energy: -24.683415 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -37.397391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.397391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.397391 (E_RNA) where: Base-Base interactions energy: -15.133 where: short stacking energy: -15.133 Base-Backbone interact. energy: -0.341 local terms energy: -21.923767 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -34.095661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.095661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.095661 (E_RNA) where: Base-Base interactions energy: -12.932 where: short stacking energy: -12.932 Base-Backbone interact. energy: -0.000 local terms energy: -21.163118 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -5.451 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: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -33.625033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.625033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.625033 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.001 local terms energy: -22.945176 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -2.605 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -31.868539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.868539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.868539 (E_RNA) where: Base-Base interactions energy: -9.435 where: short stacking energy: -9.435 Base-Backbone interact. energy: -0.061 local terms energy: -22.372732 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.956 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -33.858762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.858762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.858762 (E_RNA) where: Base-Base interactions energy: -9.297 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.000 local terms energy: -24.562099 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -32.431298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.431298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.431298 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.073 local terms energy: -20.351928 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -29.148126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.148126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.148126 (E_RNA) where: Base-Base interactions energy: -5.948 where: short stacking energy: -5.948 Base-Backbone interact. energy: -0.000 local terms energy: -23.199823 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.088 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -31.525997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.525997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.525997 (E_RNA) where: Base-Base interactions energy: -7.144 where: short stacking energy: -7.144 Base-Backbone interact. energy: -0.000 local terms energy: -24.381437 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -29.905038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.905038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.905038 (E_RNA) where: Base-Base interactions energy: -9.267 where: short stacking energy: -9.518 Base-Backbone interact. energy: -0.000 local terms energy: -20.637723 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -1.746 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: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -40.633686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.633686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.633686 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.000 local terms energy: -25.538557 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -36.564760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.564760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.564760 (E_RNA) where: Base-Base interactions energy: -14.942 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.001 local terms energy: -21.621801 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.929 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: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -40.260334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.260334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.260334 (E_RNA) where: Base-Base interactions energy: -14.709 where: short stacking energy: -14.709 Base-Backbone interact. energy: -0.000 local terms energy: -25.551547 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -38.938355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.938355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.938355 (E_RNA) where: Base-Base interactions energy: -12.319 where: short stacking energy: -12.319 Base-Backbone interact. energy: -0.000 local terms energy: -26.618937 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -33.455963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455963 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.004 local terms energy: -24.464174 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -37.006660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.006660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.006660 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -11.587 Base-Backbone interact. energy: -0.000 local terms energy: -25.419497 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -3.749 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: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -30.407737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.407737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.407737 (E_RNA) where: Base-Base interactions energy: -8.611 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.775 local terms energy: -21.021339 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -36.152937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.152937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.152937 (E_RNA) where: Base-Base interactions energy: -15.142 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.000 local terms energy: -21.010954 where: bonds (distance) C4'-P energy: -2.322 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -5.442 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: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -30.051312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.051312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.051312 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -9.416 Base-Backbone interact. energy: -0.035 local terms energy: -20.599593 where: bonds (distance) C4'-P energy: -2.019 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -27.871593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.871593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.871593 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.000 local terms energy: -20.027688 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -0.433 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: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -42.037857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.037857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.037857 (E_RNA) where: Base-Base interactions energy: -14.372 where: short stacking energy: -14.372 Base-Backbone interact. energy: -0.000 local terms energy: -27.665564 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -39.819065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.819065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.819065 (E_RNA) where: Base-Base interactions energy: -15.965 where: short stacking energy: -15.965 Base-Backbone interact. energy: -0.000 local terms energy: -23.854289 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -36.929281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.929281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.929281 (E_RNA) where: Base-Base interactions energy: -13.815 where: short stacking energy: -13.815 Base-Backbone interact. energy: -0.044 local terms energy: -23.070736 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -4.932 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: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -35.570849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.570849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.570849 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.000 local terms energy: -24.149844 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -4.039 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -4.985 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: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -37.764211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.764211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.764211 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.014 local terms energy: -23.508474 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -35.164610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.164610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.164610 (E_RNA) where: Base-Base interactions energy: -14.865 where: short stacking energy: -14.865 Base-Backbone interact. energy: 1.162 local terms energy: -21.461707 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -34.542878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.542878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.542878 (E_RNA) where: Base-Base interactions energy: -15.192 where: short stacking energy: -15.192 Base-Backbone interact. energy: -0.000 local terms energy: -19.351284 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -3.573 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -29.399540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.399540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.399540 (E_RNA) where: Base-Base interactions energy: -9.330 where: short stacking energy: -9.330 Base-Backbone interact. energy: -0.000 local terms energy: -20.069523 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -28.406856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.406856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.406856 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.109 local terms energy: -20.833654 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.319 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: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -27.356422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.356422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.356422 (E_RNA) where: Base-Base interactions energy: -13.401 where: short stacking energy: -13.401 Base-Backbone interact. energy: -0.001 local terms energy: -13.954396 where: bonds (distance) C4'-P energy: -1.779 bonds (distance) P-C4' energy: -2.264 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: 0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -42.490177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.490177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.490177 (E_RNA) where: Base-Base interactions energy: -14.065 where: short stacking energy: -14.065 Base-Backbone interact. energy: -0.000 local terms energy: -28.424793 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -6.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -38.272143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.272143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.272143 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.002 local terms energy: -23.820199 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -37.633733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.633733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.633733 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: -0.000 local terms energy: -26.009143 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -33.339603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.339603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.339603 (E_RNA) where: Base-Base interactions energy: -13.197 where: short stacking energy: -13.197 Base-Backbone interact. energy: -0.001 local terms energy: -20.141297 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -1.709 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: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -30.527857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527857 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.081 local terms energy: -20.757998 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -4.588 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: 6, replica: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -31.377549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.377549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.377549 (E_RNA) where: Base-Base interactions energy: -10.086 where: short stacking energy: -10.086 Base-Backbone interact. energy: -0.038 local terms energy: -21.253029 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -31.912995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.912995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.912995 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.000 local terms energy: -22.690631 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -29.536848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.536848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.536848 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.238 local terms energy: -22.118327 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.009 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: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -31.755183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.755183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.755183 (E_RNA) where: Base-Base interactions energy: -10.003 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.006 local terms energy: -21.746145 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -29.930607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.930607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.930607 (E_RNA) where: Base-Base interactions energy: -12.524 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.022 local terms energy: -17.384109 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.083 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -40.746449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746449 (E_RNA) where: Base-Base interactions energy: -16.367 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.002 local terms energy: -24.377405 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -33.635324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.635324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.635324 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.325 local terms energy: -24.034098 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -3.671 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: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -36.076671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.076671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.076671 (E_RNA) where: Base-Base interactions energy: -12.051 where: short stacking energy: -12.051 Base-Backbone interact. energy: -0.019 local terms energy: -24.006756 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -37.574952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.574952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.574952 (E_RNA) where: Base-Base interactions energy: -13.769 where: short stacking energy: -13.769 Base-Backbone interact. energy: -0.000 local terms energy: -23.805479 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.099 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: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -35.945372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.945372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.945372 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.011 local terms energy: -23.018870 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.588 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -34.853448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.853448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.853448 (E_RNA) where: Base-Base interactions energy: -14.549 where: short stacking energy: -14.549 Base-Backbone interact. energy: -0.000 local terms energy: -20.304085 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -35.196504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.196504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.196504 (E_RNA) where: Base-Base interactions energy: -12.903 where: short stacking energy: -12.903 Base-Backbone interact. energy: -0.004 local terms energy: -22.289341 where: bonds (distance) C4'-P energy: -2.471 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -34.518018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.518018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.518018 (E_RNA) where: Base-Base interactions energy: -11.878 where: short stacking energy: -11.878 Base-Backbone interact. energy: -0.000 local terms energy: -22.639539 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -3.669 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -30.952668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.952668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.952668 (E_RNA) where: Base-Base interactions energy: -10.571 where: short stacking energy: -10.571 Base-Backbone interact. energy: -0.032 local terms energy: -20.349080 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -31.544476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544476 (E_RNA) where: Base-Base interactions energy: -11.595 where: short stacking energy: -11.595 Base-Backbone interact. energy: -0.000 local terms energy: -19.949081 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.558 flat angles P-C4'-P energy: -3.440 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: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -36.692607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.692607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.692607 (E_RNA) where: Base-Base interactions energy: -13.584 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.613 local terms energy: -22.495557 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -37.251041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.251041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.251041 (E_RNA) where: Base-Base interactions energy: -11.002 where: short stacking energy: -11.002 Base-Backbone interact. energy: -0.000 local terms energy: -26.249245 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -40.313030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.313030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.313030 (E_RNA) where: Base-Base interactions energy: -14.056 where: short stacking energy: -14.056 Base-Backbone interact. energy: -0.000 local terms energy: -26.257399 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -37.593838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.593838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.593838 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.011 local terms energy: -23.861065 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.090 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: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -33.777216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.777216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.777216 (E_RNA) where: Base-Base interactions energy: -11.991 where: short stacking energy: -11.991 Base-Backbone interact. energy: -0.087 local terms energy: -21.700123 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -3.795 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -5.139 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: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -32.108067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.108067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.108067 (E_RNA) where: Base-Base interactions energy: -8.784 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.000 local terms energy: -23.323909 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.512 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: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -30.960774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960774 (E_RNA) where: Base-Base interactions energy: -10.100 where: short stacking energy: -10.100 Base-Backbone interact. energy: -0.055 local terms energy: -20.806326 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.528 flat angles P-C4'-P energy: -3.233 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: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -28.037672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.037672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.037672 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.001 local terms energy: -19.646839 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.462 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: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -32.613543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.613543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.613543 (E_RNA) where: Base-Base interactions energy: -13.099 where: short stacking energy: -13.099 Base-Backbone interact. energy: -0.074 local terms energy: -19.440648 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -3.901 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: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -29.951064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951064 (E_RNA) where: Base-Base interactions energy: -8.555 where: short stacking energy: -8.555 Base-Backbone interact. energy: -0.001 local terms energy: -21.394323 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -44.292715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.292715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.292715 (E_RNA) where: Base-Base interactions energy: -17.798 where: short stacking energy: -17.798 Base-Backbone interact. energy: -0.000 local terms energy: -26.494973 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -38.786299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.786299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.786299 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.064 local terms energy: -25.783830 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -41.965437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.965437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.965437 (E_RNA) where: Base-Base interactions energy: -14.452 where: short stacking energy: -14.552 Base-Backbone interact. energy: -0.002 local terms energy: -27.511069 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -35.102933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.102933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.102933 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.001 local terms energy: -22.090163 where: bonds (distance) C4'-P energy: -3.523 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -33.664875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.664875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.664875 (E_RNA) where: Base-Base interactions energy: -13.656 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.084 local terms energy: -19.924650 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -37.492850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492850 (E_RNA) where: Base-Base interactions energy: -12.837 where: short stacking energy: -12.837 Base-Backbone interact. energy: -0.015 local terms energy: -24.640895 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -31.162814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.162814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.162814 (E_RNA) where: Base-Base interactions energy: -9.776 where: short stacking energy: -9.776 Base-Backbone interact. energy: -0.000 local terms energy: -21.386777 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -29.160794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160794 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.019 local terms energy: -20.286854 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -29.410915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.410915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.410915 (E_RNA) where: Base-Base interactions energy: -8.870 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.001 local terms energy: -20.539893 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: 0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -31.003589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.003589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.003589 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.468 local terms energy: -23.000706 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -5.363 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: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -36.860901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.860901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.860901 (E_RNA) where: Base-Base interactions energy: -15.160 where: short stacking energy: -15.160 Base-Backbone interact. energy: -0.028 local terms energy: -21.673062 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -2.668 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: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -40.457833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.457833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.457833 (E_RNA) where: Base-Base interactions energy: -13.819 where: short stacking energy: -13.819 Base-Backbone interact. energy: -0.005 local terms energy: -26.633989 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -34.429203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.429203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.429203 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.050 local terms energy: -23.725585 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -37.432935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.432935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.432935 (E_RNA) where: Base-Base interactions energy: -16.412 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.055 local terms energy: -20.966398 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -35.446063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.446063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.446063 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.000 local terms energy: -24.690322 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -32.997557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.997557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.997557 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -10.168 Base-Backbone interact. energy: -0.101 local terms energy: -22.727693 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -2.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -31.800458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.800458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.800458 (E_RNA) where: Base-Base interactions energy: -8.977 where: short stacking energy: -8.977 Base-Backbone interact. energy: 0.246 local terms energy: -23.070020 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -31.405243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405243 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -13.922 Base-Backbone interact. energy: -0.000 local terms energy: -17.483257 where: bonds (distance) C4'-P energy: -2.385 bonds (distance) P-C4' energy: -4.002 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -2.919 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: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -28.831993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.831993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.831993 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.894 local terms energy: -19.158742 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -0.634 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -34.542512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.542512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.542512 (E_RNA) where: Base-Base interactions energy: -13.098 where: short stacking energy: -13.098 Base-Backbone interact. energy: -0.016 local terms energy: -21.429187 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -3.488 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: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -40.511686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.511686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.511686 (E_RNA) where: Base-Base interactions energy: -15.957 where: short stacking energy: -15.957 Base-Backbone interact. energy: -0.000 local terms energy: -24.554614 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -40.397357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.397357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.397357 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.002 local terms energy: -27.278944 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -39.156719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.156719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.156719 (E_RNA) where: Base-Base interactions energy: -12.498 where: short stacking energy: -12.498 Base-Backbone interact. energy: -0.000 local terms energy: -26.658688 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -33.603276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.603276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.603276 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.004 local terms energy: -21.146064 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -3.171 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: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -33.619551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.619551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.619551 (E_RNA) where: Base-Base interactions energy: -12.980 where: short stacking energy: -12.980 Base-Backbone interact. energy: -0.000 local terms energy: -20.639722 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -33.996912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.996912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.996912 (E_RNA) where: Base-Base interactions energy: -13.047 where: short stacking energy: -13.047 Base-Backbone interact. energy: -0.003 local terms energy: -20.947261 where: bonds (distance) C4'-P energy: -3.439 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -31.321947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.321947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.321947 (E_RNA) where: Base-Base interactions energy: -9.039 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.000 local terms energy: -22.282380 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -30.998650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.998650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.998650 (E_RNA) where: Base-Base interactions energy: -6.805 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.033 local terms energy: -24.160561 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -2.804 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: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -33.827651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.827651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.827651 (E_RNA) where: Base-Base interactions energy: -10.958 where: short stacking energy: -10.958 Base-Backbone interact. energy: -0.000 local terms energy: -22.869761 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -28.963227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.963227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.963227 (E_RNA) where: Base-Base interactions energy: -8.754 where: short stacking energy: -8.776 Base-Backbone interact. energy: -0.067 local terms energy: -20.142231 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.205 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: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -43.382363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.382363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.382363 (E_RNA) where: Base-Base interactions energy: -15.725 where: short stacking energy: -15.725 Base-Backbone interact. energy: -0.006 local terms energy: -27.651462 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -37.716570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.716570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.716570 (E_RNA) where: Base-Base interactions energy: -13.585 where: short stacking energy: -13.585 Base-Backbone interact. energy: 0.698 local terms energy: -24.829285 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -5.630 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: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -43.612783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.612783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.612783 (E_RNA) where: Base-Base interactions energy: -16.424 where: short stacking energy: -16.424 Base-Backbone interact. energy: -0.000 local terms energy: -27.189188 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -33.424627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.424627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.424627 (E_RNA) where: Base-Base interactions energy: -16.577 where: short stacking energy: -16.577 Base-Backbone interact. energy: -0.000 local terms energy: -16.847294 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -1.524 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -36.161747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.161747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.161747 (E_RNA) where: Base-Base interactions energy: -13.841 where: short stacking energy: -13.841 Base-Backbone interact. energy: -0.068 local terms energy: -22.252886 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -3.323 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -32.594219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594219 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.087 local terms energy: -22.270627 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: 0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -33.499591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.499591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.499591 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -10.461 Base-Backbone interact. energy: -0.003 local terms energy: -23.035162 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -29.714629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.714629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.714629 (E_RNA) where: Base-Base interactions energy: -6.570 where: short stacking energy: -6.570 Base-Backbone interact. energy: -0.396 local terms energy: -22.748443 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -5.346 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: 9, replica: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -38.488029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.488029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.488029 (E_RNA) where: Base-Base interactions energy: -15.672 where: short stacking energy: -15.672 Base-Backbone interact. energy: -0.000 local terms energy: -22.815964 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -4.536 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: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -25.716653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.716653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.716653 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.000 local terms energy: -15.102243 where: bonds (distance) C4'-P energy: -3.386 bonds (distance) P-C4' energy: -3.338 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -0.474 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -41.994260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.994260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.994260 (E_RNA) where: Base-Base interactions energy: -15.608 where: short stacking energy: -15.608 Base-Backbone interact. energy: -0.002 local terms energy: -26.384106 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -34.572168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.572168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.572168 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.114 local terms energy: -21.462500 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -39.022040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.022040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.022040 (E_RNA) where: Base-Base interactions energy: -13.351 where: short stacking energy: -13.351 Base-Backbone interact. energy: -0.000 local terms energy: -25.671293 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -5.189 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: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -37.592677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.592677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.592677 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.024 local terms energy: -23.926270 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -35.721214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721214 (E_RNA) where: Base-Base interactions energy: -16.576 where: short stacking energy: -16.693 Base-Backbone interact. energy: -0.008 local terms energy: -19.136556 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -36.457363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457363 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.006 local terms energy: -22.641020 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -2.760 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -30.852748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.852748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.852748 (E_RNA) where: Base-Base interactions energy: -9.169 where: short stacking energy: -9.169 Base-Backbone interact. energy: -0.150 local terms energy: -21.533618 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -4.309 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: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -36.308764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.308764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.308764 (E_RNA) where: Base-Base interactions energy: -13.555 where: short stacking energy: -13.555 Base-Backbone interact. energy: -0.010 local terms energy: -22.744148 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -1.723 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -32.316011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.316011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.316011 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.000 local terms energy: -23.364174 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -3.461 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: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -26.948998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.948998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.948998 (E_RNA) where: Base-Base interactions energy: -9.110 where: short stacking energy: -9.110 Base-Backbone interact. energy: -0.099 local terms energy: -17.739557 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -2.561 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: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -39.812502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.812502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.812502 (E_RNA) where: Base-Base interactions energy: -14.508 where: short stacking energy: -14.508 Base-Backbone interact. energy: -0.000 local terms energy: -25.304416 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -37.687421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.687421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.687421 (E_RNA) where: Base-Base interactions energy: -15.591 where: short stacking energy: -15.591 Base-Backbone interact. energy: -0.026 local terms energy: -22.070168 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.461 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: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -37.120554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.120554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.120554 (E_RNA) where: Base-Base interactions energy: -15.541 where: short stacking energy: -15.541 Base-Backbone interact. energy: -0.081 local terms energy: -21.498249 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -1.362 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -38.957466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.957466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.957466 (E_RNA) where: Base-Base interactions energy: -14.553 where: short stacking energy: -14.553 Base-Backbone interact. energy: -0.000 local terms energy: -24.404906 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -37.439777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.439777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.439777 (E_RNA) where: Base-Base interactions energy: -13.645 where: short stacking energy: -13.645 Base-Backbone interact. energy: -0.000 local terms energy: -23.795131 where: bonds (distance) C4'-P energy: -6.039 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -1.978 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -34.569070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.569070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.569070 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -24.183986 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -29.217101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.217101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.217101 (E_RNA) where: Base-Base interactions energy: -8.947 where: short stacking energy: -8.947 Base-Backbone interact. energy: -0.061 local terms energy: -20.208999 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -1.631 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -28.788998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.788998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.788998 (E_RNA) where: Base-Base interactions energy: -7.896 where: short stacking energy: -7.896 Base-Backbone interact. energy: -0.042 local terms energy: -20.851090 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -4.394 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: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -28.116989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.116989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.116989 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.017 local terms energy: -19.245249 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -4.650 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -28.307425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.307425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.307425 (E_RNA) where: Base-Base interactions energy: -8.902 where: short stacking energy: -8.902 Base-Backbone interact. energy: -0.211 local terms energy: -19.194894 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.430 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: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -41.263384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.263384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.263384 (E_RNA) where: Base-Base interactions energy: -13.039 where: short stacking energy: -13.039 Base-Backbone interact. energy: -0.000 local terms energy: -28.224837 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -38.031754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.031754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.031754 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.000 local terms energy: -23.161744 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.890 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: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -37.014995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.014995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.014995 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.000 local terms energy: -21.913643 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -1.565 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -33.749757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.749757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.749757 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.856 local terms energy: -19.999352 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.672 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: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -34.000090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.000090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.000090 (E_RNA) where: Base-Base interactions energy: -13.337 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.028 local terms energy: -20.635140 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.509 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: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -35.756943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756943 (E_RNA) where: Base-Base interactions energy: -10.686 where: short stacking energy: -10.686 Base-Backbone interact. energy: -0.001 local terms energy: -25.070592 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -32.796227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.796227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.796227 (E_RNA) where: Base-Base interactions energy: -8.840 where: short stacking energy: -8.840 Base-Backbone interact. energy: -0.012 local terms energy: -23.944446 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -34.158785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158785 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.000 local terms energy: -19.880880 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -30.750912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.750912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.750912 (E_RNA) where: Base-Base interactions energy: -8.379 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.000 local terms energy: -22.372204 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -31.778296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.778296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.778296 (E_RNA) where: Base-Base interactions energy: -14.129 where: short stacking energy: -14.129 Base-Backbone interact. energy: -0.001 local terms energy: -17.647835 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -2.036 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -42.355627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.355627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.355627 (E_RNA) where: Base-Base interactions energy: -16.429 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.000 local terms energy: -25.926631 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -5.096 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: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -40.761763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.761763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.761763 (E_RNA) where: Base-Base interactions energy: -16.720 where: short stacking energy: -16.720 Base-Backbone interact. energy: -0.000 local terms energy: -24.041414 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.083 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -43.872016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.872016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.872016 (E_RNA) where: Base-Base interactions energy: -17.521 where: short stacking energy: -17.521 Base-Backbone interact. energy: -0.000 local terms energy: -26.350951 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -37.863651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.863651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.863651 (E_RNA) where: Base-Base interactions energy: -12.805 where: short stacking energy: -12.805 Base-Backbone interact. energy: -0.000 local terms energy: -25.058593 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -39.846709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.846709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.846709 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.000 local terms energy: -26.790643 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -35.751183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.751183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.751183 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.000 local terms energy: -24.999611 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -37.224551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.224551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.224551 (E_RNA) where: Base-Base interactions energy: -13.833 where: short stacking energy: -13.833 Base-Backbone interact. energy: -0.000 local terms energy: -23.390596 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -33.526944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.526944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.526944 (E_RNA) where: Base-Base interactions energy: -11.692 where: short stacking energy: -11.692 Base-Backbone interact. energy: -0.000 local terms energy: -21.834867 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -28.820923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.820923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.820923 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.013 local terms energy: -21.492317 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.700 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -35.719491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.719491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.719491 (E_RNA) where: Base-Base interactions energy: -9.136 where: short stacking energy: -9.136 Base-Backbone interact. energy: -0.000 local terms energy: -26.583095 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -5.930 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: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -42.744202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.744202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.744202 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -14.593 Base-Backbone interact. energy: -0.000 local terms energy: -28.151109 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -32.478613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.478613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.478613 (E_RNA) where: Base-Base interactions energy: -9.059 where: short stacking energy: -9.059 Base-Backbone interact. energy: -0.062 local terms energy: -23.357499 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -41.910320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.910320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.910320 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.000 local terms energy: -28.026870 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -33.845119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845119 (E_RNA) where: Base-Base interactions energy: -10.829 where: short stacking energy: -10.829 Base-Backbone interact. energy: -0.729 local terms energy: -22.286943 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.778 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: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -33.633081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.633081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.633081 (E_RNA) where: Base-Base interactions energy: -9.359 where: short stacking energy: -9.359 Base-Backbone interact. energy: -0.095 local terms energy: -24.178671 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -36.515250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.515250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.515250 (E_RNA) where: Base-Base interactions energy: -11.859 where: short stacking energy: -11.859 Base-Backbone interact. energy: -0.006 local terms energy: -24.650092 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -31.340213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.340213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.340213 (E_RNA) where: Base-Base interactions energy: -9.574 where: short stacking energy: -9.574 Base-Backbone interact. energy: -0.003 local terms energy: -21.762933 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -3.059 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: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -28.975358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.975358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.975358 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.004 local terms energy: -19.276577 where: bonds (distance) C4'-P energy: -3.825 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.661 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: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -32.820484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.820484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.820484 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.000 local terms energy: -23.952157 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -31.285547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.285547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.285547 (E_RNA) where: Base-Base interactions energy: -9.461 where: short stacking energy: -9.461 Base-Backbone interact. energy: -0.799 local terms energy: -21.025546 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -38.051675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051675 (E_RNA) where: Base-Base interactions energy: -14.856 where: short stacking energy: -14.856 Base-Backbone interact. energy: -0.009 local terms energy: -23.186882 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -35.866657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.866657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.866657 (E_RNA) where: Base-Base interactions energy: -13.780 where: short stacking energy: -13.780 Base-Backbone interact. energy: -0.013 local terms energy: -22.073284 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -39.771020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.771020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.771020 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -13.254 Base-Backbone interact. energy: -0.000 local terms energy: -26.516458 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -36.124572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.124572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.124572 (E_RNA) where: Base-Base interactions energy: -14.560 where: short stacking energy: -14.560 Base-Backbone interact. energy: -0.003 local terms energy: -21.561075 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -2.994 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -37.096473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.096473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.096473 (E_RNA) where: Base-Base interactions energy: -13.441 where: short stacking energy: -13.441 Base-Backbone interact. energy: -0.000 local terms energy: -23.655300 where: bonds (distance) C4'-P energy: -2.538 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -31.644364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644364 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.004 local terms energy: -22.920549 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -32.308482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.308482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.308482 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.016 local terms energy: -19.821396 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -33.590846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.590846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.590846 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.027 local terms energy: -21.329336 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.843 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: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -35.756131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756131 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -12.887 Base-Backbone interact. energy: -0.002 local terms energy: -23.989434 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -27.775288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.775288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.775288 (E_RNA) where: Base-Base interactions energy: -9.332 where: short stacking energy: -9.332 Base-Backbone interact. energy: -0.000 local terms energy: -18.443467 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -1.312 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: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -40.665254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.665254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.665254 (E_RNA) where: Base-Base interactions energy: -16.731 where: short stacking energy: -16.731 Base-Backbone interact. energy: -0.000 local terms energy: -23.934425 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.703 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: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -36.424229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.424229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.424229 (E_RNA) where: Base-Base interactions energy: -16.777 where: short stacking energy: -16.777 Base-Backbone interact. energy: -0.000 local terms energy: -19.646523 where: bonds (distance) C4'-P energy: -3.894 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.681 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: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -39.027395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.027395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.027395 (E_RNA) where: Base-Base interactions energy: -14.394 where: short stacking energy: -14.394 Base-Backbone interact. energy: -0.024 local terms energy: -24.609746 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -38.767581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.767581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.767581 (E_RNA) where: Base-Base interactions energy: -16.286 where: short stacking energy: -16.286 Base-Backbone interact. energy: -0.001 local terms energy: -22.480751 where: bonds (distance) C4'-P energy: -2.048 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.157 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: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -30.789575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.789575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.789575 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -1.107 local terms energy: -21.583589 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -39.171703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.171703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.171703 (E_RNA) where: Base-Base interactions energy: -17.078 where: short stacking energy: -17.078 Base-Backbone interact. energy: -0.000 local terms energy: -22.093672 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -35.336244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.336244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.336244 (E_RNA) where: Base-Base interactions energy: -12.730 where: short stacking energy: -12.730 Base-Backbone interact. energy: -0.057 local terms energy: -22.548750 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -33.823425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.823425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.823425 (E_RNA) where: Base-Base interactions energy: -10.890 where: short stacking energy: -10.890 Base-Backbone interact. energy: -0.002 local terms energy: -22.931835 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.393 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: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -31.669326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.669326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.669326 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.597411 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -27.672436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.672436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.672436 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.000 local terms energy: -19.468041 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -2.313 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.634 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: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -41.861685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.861685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.861685 (E_RNA) where: Base-Base interactions energy: -15.810 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.011 local terms energy: -26.039773 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -40.609652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.609652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.609652 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.084 local terms energy: -29.083388 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -32.089777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.089777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.089777 (E_RNA) where: Base-Base interactions energy: -6.737 where: short stacking energy: -6.737 Base-Backbone interact. energy: -0.107 local terms energy: -25.246093 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -38.664906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.664906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.664906 (E_RNA) where: Base-Base interactions energy: -14.553 where: short stacking energy: -14.553 Base-Backbone interact. energy: -0.002 local terms energy: -24.110303 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -40.147202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.147202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.147202 (E_RNA) where: Base-Base interactions energy: -13.272 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.000 local terms energy: -26.874868 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -32.669637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.669637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.669637 (E_RNA) where: Base-Base interactions energy: -13.091 where: short stacking energy: -13.091 Base-Backbone interact. energy: -0.019 local terms energy: -19.559820 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -2.508 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -34.006472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.006472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.006472 (E_RNA) where: Base-Base interactions energy: -10.171 where: short stacking energy: -10.171 Base-Backbone interact. energy: -0.021 local terms energy: -23.814718 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -30.347767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.347767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.347767 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: -0.000 local terms energy: -22.063898 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -31.418647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418647 (E_RNA) where: Base-Base interactions energy: -8.260 where: short stacking energy: -8.260 Base-Backbone interact. energy: -0.013 local terms energy: -23.145530 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -2.946 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: 10, replica: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -32.741706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.741706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.741706 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.033 local terms energy: -19.256662 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: 0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -44.434603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.434603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.434603 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.011 local terms energy: -29.827828 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -36.160760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.160760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.160760 (E_RNA) where: Base-Base interactions energy: -13.092 where: short stacking energy: -13.092 Base-Backbone interact. energy: -0.001 local terms energy: -23.067996 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -32.384050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.384050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.384050 (E_RNA) where: Base-Base interactions energy: -9.556 where: short stacking energy: -9.556 Base-Backbone interact. energy: -0.974 local terms energy: -21.853933 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -4.033 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: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -37.322416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.322416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.322416 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.000 local terms energy: -23.599514 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -30.268008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268008 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: 0.225 local terms energy: -18.869399 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -0.715 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: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -35.139348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.139348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.139348 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -9.596 Base-Backbone interact. energy: -0.000 local terms energy: -22.599784 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.177 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: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -36.162034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.162034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.162034 (E_RNA) where: Base-Base interactions energy: -13.741 where: short stacking energy: -13.741 Base-Backbone interact. energy: -0.010 local terms energy: -22.411401 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -3.487 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.445 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: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -31.166298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.166298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.166298 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.001 local terms energy: -18.310813 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -1.409 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: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -27.334799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334799 (E_RNA) where: Base-Base interactions energy: -5.673 where: short stacking energy: -5.673 Base-Backbone interact. energy: -0.088 local terms energy: -21.573932 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -31.281742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.281742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.281742 (E_RNA) where: Base-Base interactions energy: -10.209 where: short stacking energy: -10.209 Base-Backbone interact. energy: -0.038 local terms energy: -21.034136 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -35.646809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.646809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.646809 (E_RNA) where: Base-Base interactions energy: -12.603 where: short stacking energy: -12.603 Base-Backbone interact. energy: -0.001 local terms energy: -23.043048 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -43.189234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.189234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.189234 (E_RNA) where: Base-Base interactions energy: -17.168 where: short stacking energy: -17.168 Base-Backbone interact. energy: -0.003 local terms energy: -26.018038 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -37.054854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.054854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.054854 (E_RNA) where: Base-Base interactions energy: -11.365 where: short stacking energy: -11.365 Base-Backbone interact. energy: -0.002 local terms energy: -25.687904 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -36.483403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.483403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.483403 (E_RNA) where: Base-Base interactions energy: -12.340 where: short stacking energy: -12.340 Base-Backbone interact. energy: -0.000 local terms energy: -24.143335 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -38.719532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.719532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.719532 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -16.952 Base-Backbone interact. energy: -0.000 local terms energy: -21.767495 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -34.202045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.202045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.202045 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -11.717 Base-Backbone interact. energy: 0.260 local terms energy: -22.745501 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -33.556798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556798 (E_RNA) where: Base-Base interactions energy: -11.447 where: short stacking energy: -11.447 Base-Backbone interact. energy: -0.035 local terms energy: -22.074576 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -33.834697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834697 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.000 local terms energy: -22.755419 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -1.964 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -30.046866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.046866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.046866 (E_RNA) where: Base-Base interactions energy: -13.194 where: short stacking energy: -13.194 Base-Backbone interact. energy: -0.002 local terms energy: -16.850353 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -0.313 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: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -31.545820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.545820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.545820 (E_RNA) where: Base-Base interactions energy: -9.476 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.111 local terms energy: -21.958726 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.592 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: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -37.147530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.147530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.147530 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.165 local terms energy: -23.314235 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -40.531365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.531365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.531365 (E_RNA) where: Base-Base interactions energy: -16.445 where: short stacking energy: -16.445 Base-Backbone interact. energy: -0.001 local terms energy: -24.085740 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -2.663 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -39.534054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.534054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.534054 (E_RNA) where: Base-Base interactions energy: -15.694 where: short stacking energy: -15.694 Base-Backbone interact. energy: -0.000 local terms energy: -23.839700 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -35.182796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.182796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.182796 (E_RNA) where: Base-Base interactions energy: -11.877 where: short stacking energy: -11.877 Base-Backbone interact. energy: -0.107 local terms energy: -23.199128 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -4.544 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: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -34.273226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.273226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.273226 (E_RNA) where: Base-Base interactions energy: -12.750 where: short stacking energy: -12.750 Base-Backbone interact. energy: -0.002 local terms energy: -21.521976 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -2.156 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: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -37.067561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.067561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.067561 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.012 local terms energy: -23.924888 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -30.949255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.949255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.949255 (E_RNA) where: Base-Base interactions energy: -9.273 where: short stacking energy: -9.273 Base-Backbone interact. energy: -0.000 local terms energy: -21.676043 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -3.028 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -32.670725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.670725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.670725 (E_RNA) where: Base-Base interactions energy: -10.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.000 local terms energy: -21.748961 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -4.300 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -28.104197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.104197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.104197 (E_RNA) where: Base-Base interactions energy: -7.425 where: short stacking energy: -7.425 Base-Backbone interact. energy: -0.001 local terms energy: -20.678245 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.915 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: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -29.152267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.152267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.152267 (E_RNA) where: Base-Base interactions energy: -8.577 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.004 local terms energy: -20.570467 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -42.047566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.047566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.047566 (E_RNA) where: Base-Base interactions energy: -16.200 where: short stacking energy: -16.200 Base-Backbone interact. energy: -0.000 local terms energy: -25.847105 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -5.438 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: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -37.731242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.731242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.731242 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.006 local terms energy: -24.301915 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -36.254222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.254222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.254222 (E_RNA) where: Base-Base interactions energy: -12.942 where: short stacking energy: -12.942 Base-Backbone interact. energy: -0.000 local terms energy: -23.312459 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -3.820 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: 4, replica: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -34.758384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.758384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.758384 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.001 local terms energy: -22.005210 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -35.280631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.280631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.280631 (E_RNA) where: Base-Base interactions energy: -11.300 where: short stacking energy: -11.300 Base-Backbone interact. energy: -0.000 local terms energy: -23.980935 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -32.663990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.663990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.663990 (E_RNA) where: Base-Base interactions energy: -9.586 where: short stacking energy: -9.586 Base-Backbone interact. energy: -0.000 local terms energy: -23.078153 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -34.547817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.547817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.547817 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.001 local terms energy: -21.548403 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -32.586166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586166 (E_RNA) where: Base-Base interactions energy: -9.807 where: short stacking energy: -9.807 Base-Backbone interact. energy: -0.001 local terms energy: -22.777856 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -30.981888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.981888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.981888 (E_RNA) where: Base-Base interactions energy: -9.789 where: short stacking energy: -9.789 Base-Backbone interact. energy: -0.127 local terms energy: -21.065856 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -4.036 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: 10, replica: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -35.351851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.351851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.351851 (E_RNA) where: Base-Base interactions energy: -11.485 where: short stacking energy: -11.485 Base-Backbone interact. energy: -0.000 local terms energy: -23.866497 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -42.864371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.864371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.864371 (E_RNA) where: Base-Base interactions energy: -15.931 where: short stacking energy: -15.931 Base-Backbone interact. energy: -0.000 local terms energy: -26.933214 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -38.310528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.310528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.310528 (E_RNA) where: Base-Base interactions energy: -12.059 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.000 local terms energy: -26.251764 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -37.205425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.205425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.205425 (E_RNA) where: Base-Base interactions energy: -12.936 where: short stacking energy: -12.936 Base-Backbone interact. energy: -0.000 local terms energy: -24.268889 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -32.400047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.400047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.400047 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.287 Base-Backbone interact. energy: -0.545 local terms energy: -23.567715 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -34.618009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.618009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.618009 (E_RNA) where: Base-Base interactions energy: -12.090 where: short stacking energy: -12.090 Base-Backbone interact. energy: -0.001 local terms energy: -22.526710 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -2.427 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: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -36.741542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.741542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.741542 (E_RNA) where: Base-Base interactions energy: -16.543 where: short stacking energy: -16.543 Base-Backbone interact. energy: -0.000 local terms energy: -20.198439 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -33.330841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.330841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.330841 (E_RNA) where: Base-Base interactions energy: -8.569 where: short stacking energy: -8.569 Base-Backbone interact. energy: -0.280 local terms energy: -24.481704 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -29.885002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.885002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.885002 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: 0.377 local terms energy: -19.545165 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.387 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: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -29.897457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.897457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.897457 (E_RNA) where: Base-Base interactions energy: -4.299 where: short stacking energy: -4.299 Base-Backbone interact. energy: -0.832 local terms energy: -24.766228 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -31.229463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229463 (E_RNA) where: Base-Base interactions energy: -9.738 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.589 local terms energy: -20.902365 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -4.564 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -40.130489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.130489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.130489 (E_RNA) where: Base-Base interactions energy: -14.421 where: short stacking energy: -14.421 Base-Backbone interact. energy: -0.000 local terms energy: -25.709194 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -37.086199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.086199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.086199 (E_RNA) where: Base-Base interactions energy: -13.954 where: short stacking energy: -13.954 Base-Backbone interact. energy: -0.001 local terms energy: -23.130711 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -3.852 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.946 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: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -39.329189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.329189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.329189 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.011 local terms energy: -24.395734 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -3.740 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: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -37.056924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.056924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.056924 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.000 local terms energy: -20.667129 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.411 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -33.449288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.449288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.449288 (E_RNA) where: Base-Base interactions energy: -13.022 where: short stacking energy: -13.022 Base-Backbone interact. energy: -0.008 local terms energy: -20.418376 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -36.424552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.424552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.424552 (E_RNA) where: Base-Base interactions energy: -16.221 where: short stacking energy: -16.221 Base-Backbone interact. energy: -0.007 local terms energy: -20.196033 where: bonds (distance) C4'-P energy: -2.358 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -33.912045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.912045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.912045 (E_RNA) where: Base-Base interactions energy: -9.715 where: short stacking energy: -9.715 Base-Backbone interact. energy: -0.013 local terms energy: -24.183617 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -29.347985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.347985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.347985 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.141 local terms energy: -19.988879 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -32.879172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.879172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.879172 (E_RNA) where: Base-Base interactions energy: -11.999 where: short stacking energy: -11.999 Base-Backbone interact. energy: -0.002 local terms energy: -20.878198 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -2.853 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: 10, replica: 2 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -30.928952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.928952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.928952 (E_RNA) where: Base-Base interactions energy: -11.065 where: short stacking energy: -11.065 Base-Backbone interact. energy: -0.020 local terms energy: -19.844263 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -3.498 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -38.137010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.137010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.137010 (E_RNA) where: Base-Base interactions energy: -13.692 where: short stacking energy: -13.692 Base-Backbone interact. energy: -0.001 local terms energy: -24.443608 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -5.275 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: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -38.404184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.404184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.404184 (E_RNA) where: Base-Base interactions energy: -12.779 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.027 local terms energy: -25.598488 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -35.347636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.347636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.347636 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.518 Base-Backbone interact. energy: -0.130 local terms energy: -21.736584 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -4.651 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: 4, replica: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -33.900173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.900173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.900173 (E_RNA) where: Base-Base interactions energy: -12.260 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.044 local terms energy: -21.595805 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -38.131886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.131886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.131886 (E_RNA) where: Base-Base interactions energy: -13.132 where: short stacking energy: -13.132 Base-Backbone interact. energy: -0.001 local terms energy: -24.999119 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -4.412 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -35.291813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.291813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.291813 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.000 local terms energy: -24.393519 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -6.556 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: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -28.249657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.249657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.249657 (E_RNA) where: Base-Base interactions energy: -5.815 where: short stacking energy: -5.815 Base-Backbone interact. energy: -0.000 local terms energy: -22.434979 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -29.437658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437658 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: 0.068 local terms energy: -16.811574 where: bonds (distance) C4'-P energy: -2.652 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -4.654 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: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -28.728758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.728758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.728758 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.000 local terms energy: -18.827249 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -3.744 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -27.236746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.236746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.236746 (E_RNA) where: Base-Base interactions energy: -3.471 where: short stacking energy: -3.471 Base-Backbone interact. energy: -1.055 local terms energy: -22.710825 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -1.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -39.022108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.022108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.022108 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -16.952 Base-Backbone interact. energy: -0.748 local terms energy: -21.322534 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -3.504 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -45.218379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.218379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.218379 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -18.799 Base-Backbone interact. energy: -0.002 local terms energy: -26.416853 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -41.172952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.172952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.172952 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.000 local terms energy: -26.788126 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -37.705528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.705528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.705528 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.014 local terms energy: -24.023359 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -38.565536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.565536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.565536 (E_RNA) where: Base-Base interactions energy: -13.661 where: short stacking energy: -13.661 Base-Backbone interact. energy: -0.000 local terms energy: -24.905002 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -31.530286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.530286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.530286 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.000 local terms energy: -23.228009 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.984 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -39.799160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.799160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.799160 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.000 local terms energy: -26.373046 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -32.342753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342753 (E_RNA) where: Base-Base interactions energy: -8.225 where: short stacking energy: -8.225 Base-Backbone interact. energy: -0.000 local terms energy: -24.118016 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.127 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: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -26.518370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.518370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.518370 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.002 local terms energy: -16.384480 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -0.121 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: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -28.404092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.404092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.404092 (E_RNA) where: Base-Base interactions energy: -10.644 where: short stacking energy: -10.644 Base-Backbone interact. energy: -0.059 local terms energy: -17.701118 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -5.666 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -41.753000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.753000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.753000 (E_RNA) where: Base-Base interactions energy: -16.464 where: short stacking energy: -16.464 Base-Backbone interact. energy: 0.130 local terms energy: -25.419479 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -41.415768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.415768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.415768 (E_RNA) where: Base-Base interactions energy: -17.784 where: short stacking energy: -17.784 Base-Backbone interact. energy: -0.000 local terms energy: -23.631781 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -39.466965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.466965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.466965 (E_RNA) where: Base-Base interactions energy: -17.330 where: short stacking energy: -17.330 Base-Backbone interact. energy: -0.006 local terms energy: -22.131340 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -34.754961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.754961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.754961 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -9.203 Base-Backbone interact. energy: -0.098 local terms energy: -25.454115 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -37.568628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.568628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.568628 (E_RNA) where: Base-Base interactions energy: -13.763 where: short stacking energy: -13.763 Base-Backbone interact. energy: -0.000 local terms energy: -23.805323 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -1.658 tors. eta vs tors. theta energy: -7.207 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: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -34.026861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.026861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.026861 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.000 local terms energy: -24.854554 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.801 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: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -32.710243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.710243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.710243 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.028 local terms energy: -22.586700 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -33.061274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.061274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.061274 (E_RNA) where: Base-Base interactions energy: -15.686 where: short stacking energy: -15.686 Base-Backbone interact. energy: -0.101 local terms energy: -17.274311 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -1.449 flat angles P-C4'-P energy: -4.572 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: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -32.449294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.449294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.449294 (E_RNA) where: Base-Base interactions energy: -11.801 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.000 local terms energy: -20.647490 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -3.493 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: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -30.211921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.211921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.211921 (E_RNA) where: Base-Base interactions energy: -10.101 where: short stacking energy: -10.101 Base-Backbone interact. energy: -0.087 local terms energy: -20.023808 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -5.212 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: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -40.304410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.304410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.304410 (E_RNA) where: Base-Base interactions energy: -15.739 where: short stacking energy: -15.739 Base-Backbone interact. energy: -0.000 local terms energy: -24.565113 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -35.839727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.839727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.839727 (E_RNA) where: Base-Base interactions energy: -11.745 where: short stacking energy: -11.745 Base-Backbone interact. energy: -0.000 local terms energy: -24.094616 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.990 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: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -39.721077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.721077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.721077 (E_RNA) where: Base-Base interactions energy: -14.520 where: short stacking energy: -14.520 Base-Backbone interact. energy: -0.000 local terms energy: -25.200953 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.798 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: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -34.599387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.599387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.599387 (E_RNA) where: Base-Base interactions energy: -11.633 where: short stacking energy: -11.633 Base-Backbone interact. energy: -0.064 local terms energy: -22.901700 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -37.991579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.991579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.991579 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.000 local terms energy: -23.800939 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.890 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -38.092392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.092392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.092392 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.069 local terms energy: -25.281369 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -30.896914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.896914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.896914 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: -0.002 local terms energy: -21.490008 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -30.091024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.091024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.091024 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.008 local terms energy: -21.516848 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -31.279552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.279552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.279552 (E_RNA) where: Base-Base interactions energy: -8.456 where: short stacking energy: -8.456 Base-Backbone interact. energy: -0.294 local terms energy: -22.530254 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -0.784 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -26.708250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.708250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.708250 (E_RNA) where: Base-Base interactions energy: -9.978 where: short stacking energy: -9.978 Base-Backbone interact. energy: 0.233 local terms energy: -16.962980 where: bonds (distance) C4'-P energy: -0.007 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -4.258 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: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -42.969087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.969087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.969087 (E_RNA) where: Base-Base interactions energy: -16.843 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.004 local terms energy: -26.122328 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -34.449877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.449877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.449877 (E_RNA) where: Base-Base interactions energy: -9.477 where: short stacking energy: -9.477 Base-Backbone interact. energy: -0.022 local terms energy: -24.950826 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -40.560900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.560900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.560900 (E_RNA) where: Base-Base interactions energy: -15.408 where: short stacking energy: -15.408 Base-Backbone interact. energy: -0.000 local terms energy: -25.152486 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -4.557 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: 79 Temperature: 1.050000 Total energy: -32.579108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.579108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.579108 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.074 local terms energy: -20.041678 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -34.502425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.502425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.502425 (E_RNA) where: Base-Base interactions energy: -13.673 where: short stacking energy: -13.673 Base-Backbone interact. energy: -0.061 local terms energy: -20.768335 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -4.764 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: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -33.631583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631583 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -15.697 Base-Backbone interact. energy: -0.102 local terms energy: -17.833004 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -2.634 flat angles P-C4'-P energy: -3.714 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: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -32.063751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063751 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.004 local terms energy: -24.017826 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -33.432666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432666 (E_RNA) where: Base-Base interactions energy: -9.328 where: short stacking energy: -9.328 Base-Backbone interact. energy: -0.000 local terms energy: -24.104604 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -31.503485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.503485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.503485 (E_RNA) where: Base-Base interactions energy: -13.964 where: short stacking energy: -14.235 Base-Backbone interact. energy: 0.813 local terms energy: -18.352037 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -2.737 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -2.122 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: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -33.096321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.096321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.096321 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.003 local terms energy: -21.626929 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -4.769 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: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -38.778040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.778040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.778040 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.001 local terms energy: -25.433441 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.788 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: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -40.348147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.348147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.348147 (E_RNA) where: Base-Base interactions energy: -12.370 where: short stacking energy: -12.370 Base-Backbone interact. energy: -0.000 local terms energy: -27.978211 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -5.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -42.556895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.556895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.556895 (E_RNA) where: Base-Base interactions energy: -15.352 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.000 local terms energy: -27.204780 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -7.379 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: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -38.161972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.161972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.161972 (E_RNA) where: Base-Base interactions energy: -17.394 where: short stacking energy: -17.394 Base-Backbone interact. energy: -0.009 local terms energy: -20.759047 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -32.115304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115304 (E_RNA) where: Base-Base interactions energy: -11.514 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.117 local terms energy: -20.484463 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -4.664 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: 80 Temperature: 1.150000 Total energy: -36.348290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.348290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.348290 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.007 local terms energy: -23.002851 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -2.170 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: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -30.664341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.664341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.664341 (E_RNA) where: Base-Base interactions energy: -9.536 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.002 local terms energy: -21.126566 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -28.626571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.626571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.626571 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.003 local terms energy: -20.826176 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -2.514 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -35.583357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.583357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.583357 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.378 local terms energy: -22.273971 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.387 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: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -25.764793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.764793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.764793 (E_RNA) where: Base-Base interactions energy: -4.398 where: short stacking energy: -4.398 Base-Backbone interact. energy: -0.014 local terms energy: -21.352692 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -5.098 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: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -40.842031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.842031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.842031 (E_RNA) where: Base-Base interactions energy: -14.334 where: short stacking energy: -14.334 Base-Backbone interact. energy: -0.000 local terms energy: -26.507833 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -5.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -36.848051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.848051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.848051 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.081 local terms energy: -23.167198 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -36.458806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.458806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.458806 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.002 local terms energy: -24.006977 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.498 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: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -36.378413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.378413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.378413 (E_RNA) where: Base-Base interactions energy: -14.275 where: short stacking energy: -14.275 Base-Backbone interact. energy: -0.002 local terms energy: -22.101956 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.638 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: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -36.183877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.183877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.183877 (E_RNA) where: Base-Base interactions energy: -13.329 where: short stacking energy: -13.329 Base-Backbone interact. energy: -0.004 local terms energy: -22.851185 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -32.312314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.312314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.312314 (E_RNA) where: Base-Base interactions energy: -11.637 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.068 local terms energy: -20.607354 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -2.673 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -30.030322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.030322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.030322 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.228 local terms energy: -20.557870 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -4.531 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: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -31.445651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.445651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.445651 (E_RNA) where: Base-Base interactions energy: -8.669 where: short stacking energy: -8.669 Base-Backbone interact. energy: -0.030 local terms energy: -22.745985 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -30.722053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722053 (E_RNA) where: Base-Base interactions energy: -9.245 where: short stacking energy: -9.245 Base-Backbone interact. energy: -0.004 local terms energy: -21.473251 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -2.904 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: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -27.127770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.127770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.127770 (E_RNA) where: Base-Base interactions energy: -4.576 where: short stacking energy: -4.576 Base-Backbone interact. energy: -0.117 local terms energy: -22.434720 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: 0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -43.612848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.612848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.612848 (E_RNA) where: Base-Base interactions energy: -17.225 where: short stacking energy: -17.225 Base-Backbone interact. energy: -0.000 local terms energy: -26.388251 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -4.916 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -33.681621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.681621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.681621 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.002 local terms energy: -23.657669 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -34.164294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.164294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.164294 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.054 local terms energy: -22.852774 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.560 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: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -36.586300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.586300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.586300 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.001 local terms energy: -24.340631 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.105 flat angles P-C4'-P energy: -4.744 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: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -33.641837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.641837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.641837 (E_RNA) where: Base-Base interactions energy: -14.454 where: short stacking energy: -14.454 Base-Backbone interact. energy: -0.005 local terms energy: -19.182785 where: bonds (distance) C4'-P energy: -3.001 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -36.974126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.974126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.974126 (E_RNA) where: Base-Base interactions energy: -10.933 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.024 local terms energy: -26.017068 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -32.120101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.120101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.120101 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.000 local terms energy: -21.771615 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -3.319 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: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -35.103774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.103774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.103774 (E_RNA) where: Base-Base interactions energy: -15.506 where: short stacking energy: -15.506 Base-Backbone interact. energy: -0.000 local terms energy: -19.597450 where: bonds (distance) C4'-P energy: -3.919 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -30.877385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.877385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.877385 (E_RNA) where: Base-Base interactions energy: -8.558 where: short stacking energy: -8.558 Base-Backbone interact. energy: -0.000 local terms energy: -22.319054 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -30.277841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.277841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.277841 (E_RNA) where: Base-Base interactions energy: -10.588 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.100 local terms energy: -19.589640 where: bonds (distance) C4'-P energy: -2.678 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -41.129270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.129270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.129270 (E_RNA) where: Base-Base interactions energy: -15.106 where: short stacking energy: -15.106 Base-Backbone interact. energy: -0.000 local terms energy: -26.022726 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -5.457 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: 83 Temperature: 0.950000 Total energy: -38.925973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.925973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.925973 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.049 local terms energy: -25.161249 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -38.746582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.746582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.746582 (E_RNA) where: Base-Base interactions energy: -15.871 where: short stacking energy: -15.871 Base-Backbone interact. energy: -0.000 local terms energy: -22.875295 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -35.287233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.287233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.287233 (E_RNA) where: Base-Base interactions energy: -10.067 where: short stacking energy: -10.067 Base-Backbone interact. energy: -0.005 local terms energy: -25.214646 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -38.744934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.744934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.744934 (E_RNA) where: Base-Base interactions energy: -12.904 where: short stacking energy: -12.904 Base-Backbone interact. energy: -0.002 local terms energy: -25.838619 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -34.174773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.174773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.174773 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.976 Base-Backbone interact. energy: 0.799 local terms energy: -20.997592 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.186 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: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -32.029541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.029541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.029541 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.008 local terms energy: -22.800553 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -3.925 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: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -32.587737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.587737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.587737 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.991 Base-Backbone interact. energy: -0.000 local terms energy: -21.979289 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -28.856781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.856781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.856781 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.524 Base-Backbone interact. energy: -0.004 local terms energy: -18.328664 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -2.227 flat angles P-C4'-P energy: -3.738 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: 83 Temperature: 1.350000 Total energy: -28.044246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.044246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.044246 (E_RNA) where: Base-Base interactions energy: -10.380 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.047 local terms energy: -17.617713 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.196 flat angles P-C4'-P energy: -3.291 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: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -38.862728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.862728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.862728 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.003 local terms energy: -25.582718 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -40.434855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.434855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.434855 (E_RNA) where: Base-Base interactions energy: -14.247 where: short stacking energy: -14.247 Base-Backbone interact. energy: -0.007 local terms energy: -26.181010 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -5.034 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: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -38.392354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.392354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.392354 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.043 local terms energy: -24.352052 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -37.042868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.042868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.042868 (E_RNA) where: Base-Base interactions energy: -13.178 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.001 local terms energy: -23.864051 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -1.059 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -36.527789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.527789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.527789 (E_RNA) where: Base-Base interactions energy: -12.744 where: short stacking energy: -12.744 Base-Backbone interact. energy: -0.000 local terms energy: -23.784151 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -33.462852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.462852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.462852 (E_RNA) where: Base-Base interactions energy: -10.417 where: short stacking energy: -10.417 Base-Backbone interact. energy: -0.002 local terms energy: -23.044081 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -33.536318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.536318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.536318 (E_RNA) where: Base-Base interactions energy: -11.639 where: short stacking energy: -11.639 Base-Backbone interact. energy: -0.001 local terms energy: -21.896277 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -2.236 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: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -29.103784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.103784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.103784 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.098 local terms energy: -21.836207 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.509 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -32.734580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.734580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.734580 (E_RNA) where: Base-Base interactions energy: -8.228 where: short stacking energy: -9.528 Base-Backbone interact. energy: -0.099 local terms energy: -24.407196 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -29.051047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.051047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.051047 (E_RNA) where: Base-Base interactions energy: -9.525 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.034 local terms energy: -19.491931 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -40.852821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.852821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.852821 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.001 local terms energy: -27.600745 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -39.234063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.234063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.234063 (E_RNA) where: Base-Base interactions energy: -13.482 where: short stacking energy: -13.482 Base-Backbone interact. energy: -0.006 local terms energy: -25.746551 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -37.790874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.790874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.790874 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -14.172 Base-Backbone interact. energy: -0.000 local terms energy: -23.618011 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.960 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -42.841600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.841600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.841600 (E_RNA) where: Base-Base interactions energy: -18.068 where: short stacking energy: -18.068 Base-Backbone interact. energy: -0.001 local terms energy: -24.772220 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -35.549034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.549034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.549034 (E_RNA) where: Base-Base interactions energy: -13.884 where: short stacking energy: -13.884 Base-Backbone interact. energy: 0.007 local terms energy: -21.671817 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -4.396 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: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -35.230837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.230837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.230837 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -9.915 Base-Backbone interact. energy: -0.001 local terms energy: -25.314958 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.612 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: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -34.039270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039270 (E_RNA) where: Base-Base interactions energy: -14.187 where: short stacking energy: -14.187 Base-Backbone interact. energy: -0.000 local terms energy: -19.852459 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -34.075224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075224 (E_RNA) where: Base-Base interactions energy: -12.012 where: short stacking energy: -12.012 Base-Backbone interact. energy: -0.013 local terms energy: -22.049425 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.514 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: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -28.360726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.360726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.360726 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.000 local terms energy: -16.535884 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -1.462 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -28.739033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.739033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.739033 (E_RNA) where: Base-Base interactions energy: -12.110 where: short stacking energy: -12.110 Base-Backbone interact. energy: -0.017 local terms energy: -16.612190 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -0.522 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: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -40.261297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.261297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.261297 (E_RNA) where: Base-Base interactions energy: -13.163 where: short stacking energy: -13.163 Base-Backbone interact. energy: -0.000 local terms energy: -27.098267 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -5.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -40.830873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.830873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.830873 (E_RNA) where: Base-Base interactions energy: -15.839 where: short stacking energy: -15.839 Base-Backbone interact. energy: -0.000 local terms energy: -24.991621 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -36.512894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512894 (E_RNA) where: Base-Base interactions energy: -13.741 where: short stacking energy: -13.741 Base-Backbone interact. energy: -0.074 local terms energy: -22.698628 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -5.150 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: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -37.373066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.373066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.373066 (E_RNA) where: Base-Base interactions energy: -11.772 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.005 local terms energy: -25.596010 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -35.802335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.802335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.802335 (E_RNA) where: Base-Base interactions energy: -9.909 where: short stacking energy: -9.909 Base-Backbone interact. energy: -0.000 local terms energy: -25.893221 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -33.624545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.624545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.624545 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: 0.097 local terms energy: -22.063315 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -33.775898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775898 (E_RNA) where: Base-Base interactions energy: -11.642 where: short stacking energy: -11.642 Base-Backbone interact. energy: -0.054 local terms energy: -22.080136 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -5.169 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: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -27.597885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.597885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.597885 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: 0.554 local terms energy: -20.718626 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -30.089018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.089018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.089018 (E_RNA) where: Base-Base interactions energy: -10.295 where: short stacking energy: -10.295 Base-Backbone interact. energy: -0.002 local terms energy: -19.791687 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -0.114 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -27.944586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.944586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.944586 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.002 local terms energy: -20.087768 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -3.252 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -3.886 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: 1, replica: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -41.260816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.260816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.260816 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.000 local terms energy: -27.097742 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -33.697853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.697853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.697853 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.001 local terms energy: -21.855678 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.024 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: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -34.518816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.518816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.518816 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -10.741 Base-Backbone interact. energy: -0.147 local terms energy: -23.631200 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -2.495 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: 4, replica: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -34.365939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.365939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.365939 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.013 local terms energy: -24.761615 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -36.986381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.986381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.986381 (E_RNA) where: Base-Base interactions energy: -13.414 where: short stacking energy: -13.414 Base-Backbone interact. energy: -0.003 local terms energy: -23.569915 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -35.303583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.303583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.303583 (E_RNA) where: Base-Base interactions energy: -15.193 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.000 local terms energy: -20.110598 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -34.146534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.146534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.146534 (E_RNA) where: Base-Base interactions energy: -13.717 where: short stacking energy: -13.717 Base-Backbone interact. energy: -0.007 local terms energy: -20.421915 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.143 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -32.113398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.113398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.113398 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.044 local terms energy: -21.362501 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -4.305 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: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -29.726903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.726903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.726903 (E_RNA) where: Base-Base interactions energy: -12.056 where: short stacking energy: -12.056 Base-Backbone interact. energy: -0.004 local terms energy: -17.666350 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -31.711727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.711727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.711727 (E_RNA) where: Base-Base interactions energy: -9.096 where: short stacking energy: -9.248 Base-Backbone interact. energy: -0.049 local terms energy: -22.566425 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.349 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: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -42.075379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.075379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.075379 (E_RNA) where: Base-Base interactions energy: -16.943 where: short stacking energy: -16.943 Base-Backbone interact. energy: -0.000 local terms energy: -25.131973 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -6.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -39.089201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.089201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.089201 (E_RNA) where: Base-Base interactions energy: -12.069 where: short stacking energy: -12.069 Base-Backbone interact. energy: -0.002 local terms energy: -27.018448 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -33.368298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.368298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.368298 (E_RNA) where: Base-Base interactions energy: -10.103 where: short stacking energy: -10.103 Base-Backbone interact. energy: -0.144 local terms energy: -23.120719 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -41.800865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.800865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.800865 (E_RNA) where: Base-Base interactions energy: -15.970 where: short stacking energy: -15.970 Base-Backbone interact. energy: -0.000 local terms energy: -25.830605 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -4.812 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: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -36.740372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.740372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.740372 (E_RNA) where: Base-Base interactions energy: -16.358 where: short stacking energy: -16.358 Base-Backbone interact. energy: -0.000 local terms energy: -20.382178 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.404 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -34.419052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.419052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.419052 (E_RNA) where: Base-Base interactions energy: -14.275 where: short stacking energy: -14.275 Base-Backbone interact. energy: -0.016 local terms energy: -20.128069 where: bonds (distance) C4'-P energy: -2.579 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -33.076618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.076618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.076618 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.000 local terms energy: -20.308985 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -30.939591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.939591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.939591 (E_RNA) where: Base-Base interactions energy: -11.897 where: short stacking energy: -11.897 Base-Backbone interact. energy: -0.007 local terms energy: -19.035532 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.142 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: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -28.254590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.254590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.254590 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.014 local terms energy: -19.807262 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -2.166 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: 10, replica: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -32.957478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.957478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.957478 (E_RNA) where: Base-Base interactions energy: -10.468 where: short stacking energy: -10.468 Base-Backbone interact. energy: -0.039 local terms energy: -22.450743 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -39.126221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.126221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.126221 (E_RNA) where: Base-Base interactions energy: -16.150 where: short stacking energy: -16.150 Base-Backbone interact. energy: -0.007 local terms energy: -22.969185 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.853 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: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -37.734840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.734840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.734840 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.001 local terms energy: -24.140025 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -36.977034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.977034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.977034 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.005 local terms energy: -24.344608 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -34.916748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916748 (E_RNA) where: Base-Base interactions energy: -14.601 where: short stacking energy: -14.601 Base-Backbone interact. energy: -0.014 local terms energy: -20.301515 where: bonds (distance) C4'-P energy: -1.149 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -34.523180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.523180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.523180 (E_RNA) where: Base-Base interactions energy: -7.118 where: short stacking energy: -7.118 Base-Backbone interact. energy: -0.000 local terms energy: -27.405445 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -38.877657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.877657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.877657 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -16.779 Base-Backbone interact. energy: 0.690 local terms energy: -22.788518 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -37.174685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.174685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.174685 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.000 local terms energy: -24.584437 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -1.642 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -30.951772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.951772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.951772 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -9.378 Base-Backbone interact. energy: -0.001 local terms energy: -21.573448 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -36.006865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.006865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.006865 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.140 local terms energy: -23.469668 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.255 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: 10, replica: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -26.829699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.829699 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.000 local terms energy: -20.958273 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -43.317346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.317346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.317346 (E_RNA) where: Base-Base interactions energy: -16.296 where: short stacking energy: -16.296 Base-Backbone interact. energy: -0.000 local terms energy: -27.021655 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -37.195228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.195228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.195228 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.000 local terms energy: -26.342791 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -35.839284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.839284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.839284 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: -0.008 local terms energy: -25.438889 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -38.193229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.193229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.193229 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -12.992 Base-Backbone interact. energy: -0.000 local terms energy: -25.535217 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -34.581382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.581382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.581382 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.171 local terms energy: -24.275906 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.838 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: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -34.847516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.847516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.847516 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.000 local terms energy: -21.516107 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -30.193113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.193113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.193113 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: 0.455 local terms energy: -23.205405 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -30.347885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.347885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.347885 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.012 local terms energy: -20.737221 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.366 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: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -31.546102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.546102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.546102 (E_RNA) where: Base-Base interactions energy: -7.628 where: short stacking energy: -7.628 Base-Backbone interact. energy: -0.000 local terms energy: -23.917590 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.253 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: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -29.889960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.889960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.889960 (E_RNA) where: Base-Base interactions energy: -13.013 where: short stacking energy: -13.013 Base-Backbone interact. energy: -0.014 local terms energy: -16.862404 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -2.232 flat angles P-C4'-P energy: -1.279 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -39.645121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.645121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.645121 (E_RNA) where: Base-Base interactions energy: -16.298 where: short stacking energy: -16.298 Base-Backbone interact. energy: -0.065 local terms energy: -23.281770 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -44.119569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.119569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.119569 (E_RNA) where: Base-Base interactions energy: -18.290 where: short stacking energy: -18.290 Base-Backbone interact. energy: -0.000 local terms energy: -25.829501 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -38.450433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.450433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.450433 (E_RNA) where: Base-Base interactions energy: -13.182 where: short stacking energy: -13.182 Base-Backbone interact. energy: -0.002 local terms energy: -25.267059 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.751 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: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -37.446453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.446453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.446453 (E_RNA) where: Base-Base interactions energy: -12.796 where: short stacking energy: -12.796 Base-Backbone interact. energy: -0.018 local terms energy: -24.632364 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -5.240 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: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -38.006411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.006411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.006411 (E_RNA) where: Base-Base interactions energy: -12.949 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.002 local terms energy: -25.055460 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -31.461990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.461990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.461990 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.000 local terms energy: -20.493284 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -4.144 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.955 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: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -30.537743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.537743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.537743 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.051 local terms energy: -16.697317 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: 0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -28.887916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.887916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.887916 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.095 local terms energy: -20.364672 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.536 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: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -25.331020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.331020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.331020 (E_RNA) where: Base-Base interactions energy: -8.491 where: short stacking energy: -8.491 Base-Backbone interact. energy: -0.031 local terms energy: -16.809397 where: bonds (distance) C4'-P energy: -3.055 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -34.688024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.688024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.688024 (E_RNA) where: Base-Base interactions energy: -8.020 where: short stacking energy: -8.020 Base-Backbone interact. energy: -0.029 local terms energy: -26.639181 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -40.471896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.471896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.471896 (E_RNA) where: Base-Base interactions energy: -12.871 where: short stacking energy: -12.871 Base-Backbone interact. energy: -0.000 local terms energy: -27.600852 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -40.915041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.915041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.915041 (E_RNA) where: Base-Base interactions energy: -16.189 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.002 local terms energy: -24.724105 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -3.579 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: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -35.794557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.794557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.794557 (E_RNA) where: Base-Base interactions energy: -12.157 where: short stacking energy: -12.157 Base-Backbone interact. energy: -0.047 local terms energy: -23.590575 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -5.203 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: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -38.990481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.990481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.990481 (E_RNA) where: Base-Base interactions energy: -17.124 where: short stacking energy: -17.124 Base-Backbone interact. energy: -0.000 local terms energy: -21.866755 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -1.821 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -38.113668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.113668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.113668 (E_RNA) where: Base-Base interactions energy: -14.343 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.000 local terms energy: -23.769908 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -34.321942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.321942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.321942 (E_RNA) where: Base-Base interactions energy: -9.970 where: short stacking energy: -9.970 Base-Backbone interact. energy: -0.023 local terms energy: -24.328749 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -28.863091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.863091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.863091 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.117 local terms energy: -18.810009 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: 0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -27.390816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.390816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.390816 (E_RNA) where: Base-Base interactions energy: -6.401 where: short stacking energy: -6.401 Base-Backbone interact. energy: -0.031 local terms energy: -20.959003 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -32.999906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.999906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.999906 (E_RNA) where: Base-Base interactions energy: -10.081 where: short stacking energy: -10.081 Base-Backbone interact. energy: -0.003 local terms energy: -22.915921 where: bonds (distance) C4'-P energy: -3.554 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -27.372330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.372330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.372330 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.000 local terms energy: -17.130180 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -1.415 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: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -38.970761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.970761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.970761 (E_RNA) where: Base-Base interactions energy: -16.863 where: short stacking energy: -16.863 Base-Backbone interact. energy: -0.000 local terms energy: -22.107768 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -0.534 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -37.720662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.720662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.720662 (E_RNA) where: Base-Base interactions energy: -13.223 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.054 local terms energy: -24.444411 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -38.354335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.354335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.354335 (E_RNA) where: Base-Base interactions energy: -13.807 where: short stacking energy: -13.807 Base-Backbone interact. energy: -0.002 local terms energy: -24.545277 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -36.273935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.273935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.273935 (E_RNA) where: Base-Base interactions energy: -12.261 where: short stacking energy: -12.261 Base-Backbone interact. energy: -0.003 local terms energy: -24.009590 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.392 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: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -38.256558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.256558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.256558 (E_RNA) where: Base-Base interactions energy: -13.792 where: short stacking energy: -13.792 Base-Backbone interact. energy: -0.011 local terms energy: -24.453691 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -1.389 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -35.196910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.196910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.196910 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.002 local terms energy: -23.961333 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -28.023740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.023740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.023740 (E_RNA) where: Base-Base interactions energy: -10.366 where: short stacking energy: -10.366 Base-Backbone interact. energy: -0.125 local terms energy: -17.532305 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -1.032 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -32.052301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.052301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.052301 (E_RNA) where: Base-Base interactions energy: -10.259 where: short stacking energy: -10.259 Base-Backbone interact. energy: -0.001 local terms energy: -21.793111 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -29.421409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.421409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.421409 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.480 Base-Backbone interact. energy: 0.454 local terms energy: -22.795661 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -30.668114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.668114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.668114 (E_RNA) where: Base-Base interactions energy: -8.986 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.000 local terms energy: -21.682440 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -37.864023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.864023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.864023 (E_RNA) where: Base-Base interactions energy: -11.391 where: short stacking energy: -10.574 Base-Backbone interact. energy: -0.000 local terms energy: -26.472586 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.406 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: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -42.566565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.566565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.566565 (E_RNA) where: Base-Base interactions energy: -17.644 where: short stacking energy: -17.644 Base-Backbone interact. energy: -0.000 local terms energy: -24.922530 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -3.610 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: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -38.737053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.737053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.737053 (E_RNA) where: Base-Base interactions energy: -16.256 where: short stacking energy: -16.256 Base-Backbone interact. energy: -0.001 local terms energy: -22.479913 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -33.585010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.585010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.585010 (E_RNA) where: Base-Base interactions energy: -12.497 where: short stacking energy: -12.497 Base-Backbone interact. energy: -0.000 local terms energy: -21.087830 where: bonds (distance) C4'-P energy: -2.599 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -29.840145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.840145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.840145 (E_RNA) where: Base-Base interactions energy: -9.307 where: short stacking energy: -9.307 Base-Backbone interact. energy: -0.001 local terms energy: -20.532277 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -38.039470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039470 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.009 local terms energy: -22.933081 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -35.205743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.205743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.205743 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.000 local terms energy: -22.279112 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -4.536 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: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -29.963062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.963062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.963062 (E_RNA) where: Base-Base interactions energy: -8.648 where: short stacking energy: -8.648 Base-Backbone interact. energy: -0.000 local terms energy: -21.314722 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -28.904375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.904375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.904375 (E_RNA) where: Base-Base interactions energy: -12.748 where: short stacking energy: -12.748 Base-Backbone interact. energy: -0.000 local terms energy: -16.155975 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -1.023 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -34.138889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.138889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.138889 (E_RNA) where: Base-Base interactions energy: -11.219 where: short stacking energy: -11.219 Base-Backbone interact. energy: -0.003 local terms energy: -22.916859 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -0.837 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -39.531873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.531873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.531873 (E_RNA) where: Base-Base interactions energy: -12.762 where: short stacking energy: -12.762 Base-Backbone interact. energy: -0.009 local terms energy: -26.760478 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.955 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: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -41.257035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.257035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.257035 (E_RNA) where: Base-Base interactions energy: -17.331 where: short stacking energy: -17.331 Base-Backbone interact. energy: -0.000 local terms energy: -23.925941 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -38.664870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.664870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.664870 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.021 local terms energy: -25.647634 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -32.053134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.053134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.053134 (E_RNA) where: Base-Base interactions energy: -10.113 where: short stacking energy: -10.113 Base-Backbone interact. energy: -0.000 local terms energy: -21.939326 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.176 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: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -35.281272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.281272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.281272 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.000 local terms energy: -22.474184 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -4.625 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -5.692 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: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -37.410203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.410203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.410203 (E_RNA) where: Base-Base interactions energy: -14.044 where: short stacking energy: -14.161 Base-Backbone interact. energy: -0.000 local terms energy: -23.365555 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -3.265 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -33.126215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.126215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.126215 (E_RNA) where: Base-Base interactions energy: -12.616 where: short stacking energy: -12.616 Base-Backbone interact. energy: -0.027 local terms energy: -20.483465 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.473 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: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -30.242759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.242759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.242759 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.082 local terms energy: -17.239566 where: bonds (distance) C4'-P energy: -0.609 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -28.479157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.479157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.479157 (E_RNA) where: Base-Base interactions energy: -5.584 where: short stacking energy: -5.584 Base-Backbone interact. energy: -0.850 local terms energy: -22.044802 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -5.241 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: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -29.801313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.801313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.801313 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.023 local terms energy: -20.766892 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -40.021574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.021574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.021574 (E_RNA) where: Base-Base interactions energy: -13.230 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.005 local terms energy: -26.787110 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -41.169437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.169437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.169437 (E_RNA) where: Base-Base interactions energy: -16.559 where: short stacking energy: -14.777 Base-Backbone interact. energy: 0.219 local terms energy: -24.829095 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -36.783348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783348 (E_RNA) where: Base-Base interactions energy: -13.703 where: short stacking energy: -13.703 Base-Backbone interact. energy: -0.001 local terms energy: -23.079577 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -32.464204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.464204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.464204 (E_RNA) where: Base-Base interactions energy: -8.507 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.041 local terms energy: -23.915673 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -37.962610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.962610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.962610 (E_RNA) where: Base-Base interactions energy: -14.005 where: short stacking energy: -14.005 Base-Backbone interact. energy: -0.000 local terms energy: -23.957710 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -32.862179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.862179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.862179 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.064 local terms energy: -21.525031 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -34.848110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.848110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.848110 (E_RNA) where: Base-Base interactions energy: -13.562 where: short stacking energy: -13.562 Base-Backbone interact. energy: -0.000 local terms energy: -21.286179 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -3.799 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: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -33.271654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.271654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.271654 (E_RNA) where: Base-Base interactions energy: -12.787 where: short stacking energy: -12.787 Base-Backbone interact. energy: -0.084 local terms energy: -20.400184 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.726 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: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -27.695344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.695344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.695344 (E_RNA) where: Base-Base interactions energy: -6.807 where: short stacking energy: -6.807 Base-Backbone interact. energy: -0.081 local terms energy: -20.807542 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.433 flat angles P-C4'-P energy: -2.773 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: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -26.327221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.327221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.327221 (E_RNA) where: Base-Base interactions energy: -5.149 where: short stacking energy: -5.149 Base-Backbone interact. energy: -0.015 local terms energy: -21.163585 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.154 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: 97 Temperature: 0.900000 Total energy: -38.476072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.476072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.476072 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.010 local terms energy: -25.080168 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.668 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: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -39.839531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.839531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.839531 (E_RNA) where: Base-Base interactions energy: -13.098 where: short stacking energy: -13.098 Base-Backbone interact. energy: -0.005 local terms energy: -26.737201 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -30.346614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.346614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.346614 (E_RNA) where: Base-Base interactions energy: -7.439 where: short stacking energy: -4.306 Base-Backbone interact. energy: -0.142 local terms energy: -22.765649 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.830 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: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -33.760923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.760923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.760923 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.000 local terms energy: -21.310851 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.191 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: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -28.465185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.465185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.465185 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.002 local terms energy: -20.398608 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.298 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: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -34.253113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.253113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.253113 (E_RNA) where: Base-Base interactions energy: -13.119 where: short stacking energy: -13.119 Base-Backbone interact. energy: -0.095 local terms energy: -21.039631 where: bonds (distance) C4'-P energy: -4.023 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -2.775 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: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -29.194222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.194222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.194222 (E_RNA) where: Base-Base interactions energy: -9.304 where: short stacking energy: -9.304 Base-Backbone interact. energy: -0.005 local terms energy: -19.885313 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -31.894750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.894750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.894750 (E_RNA) where: Base-Base interactions energy: -12.050 where: short stacking energy: -12.050 Base-Backbone interact. energy: -0.000 local terms energy: -19.844812 where: bonds (distance) C4'-P energy: -4.280 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -2.600 flat angles P-C4'-P energy: -5.132 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: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -28.074998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.074998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.074998 (E_RNA) where: Base-Base interactions energy: -7.546 where: short stacking energy: -7.546 Base-Backbone interact. energy: -0.009 local terms energy: -20.520724 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.547 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -29.137636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.137636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.137636 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.060 local terms energy: -19.490103 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -3.369 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: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -41.671219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.671219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.671219 (E_RNA) where: Base-Base interactions energy: -16.615 where: short stacking energy: -16.615 Base-Backbone interact. energy: -0.002 local terms energy: -25.054156 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -33.946140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.946140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.946140 (E_RNA) where: Base-Base interactions energy: -11.450 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.000 local terms energy: -22.495426 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -5.238 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: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -36.065150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.065150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.065150 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.027 local terms energy: -23.499824 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.751 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -35.884774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.884774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.884774 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.000 local terms energy: -20.059752 where: bonds (distance) C4'-P energy: -4.094 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -35.688553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.688553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.688553 (E_RNA) where: Base-Base interactions energy: -16.487 where: short stacking energy: -16.487 Base-Backbone interact. energy: -0.052 local terms energy: -19.149755 where: bonds (distance) C4'-P energy: -3.635 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -2.874 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -28.651320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.651320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.651320 (E_RNA) where: Base-Base interactions energy: -7.911 where: short stacking energy: -7.911 Base-Backbone interact. energy: -0.103 local terms energy: -20.637351 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -4.556 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: 7, replica: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -31.125056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125056 (E_RNA) where: Base-Base interactions energy: -13.282 where: short stacking energy: -13.282 Base-Backbone interact. energy: -0.056 local terms energy: -17.787233 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.561 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: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -34.598931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.598931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.598931 (E_RNA) where: Base-Base interactions energy: -9.622 where: short stacking energy: -9.622 Base-Backbone interact. energy: -0.104 local terms energy: -24.872471 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.231 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: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -31.032946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.032946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.032946 (E_RNA) where: Base-Base interactions energy: -9.738 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.003 local terms energy: -21.292820 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -1.893 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: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -26.702141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.702141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.702141 (E_RNA) where: Base-Base interactions energy: -7.675 where: short stacking energy: -7.675 Base-Backbone interact. energy: 0.238 local terms energy: -19.265028 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -1.375 flat angles P-C4'-P energy: -3.824 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: 1, replica: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -42.545832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.545832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.545832 (E_RNA) where: Base-Base interactions energy: -15.807 where: short stacking energy: -15.807 Base-Backbone interact. energy: -0.000 local terms energy: -26.738829 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -39.567550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.567550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.567550 (E_RNA) where: Base-Base interactions energy: -13.723 where: short stacking energy: -13.723 Base-Backbone interact. energy: -0.001 local terms energy: -25.843281 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -40.064897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.064897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.064897 (E_RNA) where: Base-Base interactions energy: -16.604 where: short stacking energy: -16.604 Base-Backbone interact. energy: -0.046 local terms energy: -23.414683 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -2.733 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: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -41.106990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.106990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.106990 (E_RNA) where: Base-Base interactions energy: -15.394 where: short stacking energy: -15.394 Base-Backbone interact. energy: -0.000 local terms energy: -25.713046 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -39.835567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.835567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.835567 (E_RNA) where: Base-Base interactions energy: -11.960 where: short stacking energy: -11.960 Base-Backbone interact. energy: -0.000 local terms energy: -27.876002 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -37.791380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.791380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.791380 (E_RNA) where: Base-Base interactions energy: -14.559 where: short stacking energy: -14.559 Base-Backbone interact. energy: -0.043 local terms energy: -23.189094 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -4.433 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: 7, replica: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -30.799809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799809 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.011 local terms energy: -24.175028 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -33.500300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.500300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.500300 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.000 local terms energy: -20.939330 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -30.383037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.383037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.383037 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.060 local terms energy: -19.161692 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.562 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: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -29.777888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.777888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.777888 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.023 local terms energy: -20.117110 where: bonds (distance) C4'-P energy: -1.639 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -39.435510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.435510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.435510 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.002 local terms energy: -24.212147 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -37.562026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.562026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.562026 (E_RNA) where: Base-Base interactions energy: -13.169 where: short stacking energy: -13.169 Base-Backbone interact. energy: -0.000 local terms energy: -24.393165 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -36.545877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545877 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.001 local terms energy: -23.972413 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -3.975 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: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -35.913514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.913514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.913514 (E_RNA) where: Base-Base interactions energy: -13.404 where: short stacking energy: -13.404 Base-Backbone interact. energy: -0.002 local terms energy: -22.507538 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -36.097628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.097628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.097628 (E_RNA) where: Base-Base interactions energy: -13.075 where: short stacking energy: -13.075 Base-Backbone interact. energy: 0.773 local terms energy: -23.795726 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.782 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: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -32.473269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.473269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.473269 (E_RNA) where: Base-Base interactions energy: -10.559 where: short stacking energy: -10.559 Base-Backbone interact. energy: -0.013 local terms energy: -21.901146 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -1.810 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: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -30.306816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.306816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.306816 (E_RNA) where: Base-Base interactions energy: -10.025 where: short stacking energy: -10.025 Base-Backbone interact. energy: -0.125 local terms energy: -20.156821 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.296 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: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -29.288414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.288414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.288414 (E_RNA) where: Base-Base interactions energy: -8.910 where: short stacking energy: -8.910 Base-Backbone interact. energy: -0.100 local terms energy: -20.278128 where: bonds (distance) C4'-P energy: -4.972 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -31.813389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.813389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.813389 (E_RNA) where: Base-Base interactions energy: -11.419 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.086 local terms energy: -20.307994 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -30.354070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.354070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.354070 (E_RNA) where: Base-Base interactions energy: -9.494 where: short stacking energy: -9.494 Base-Backbone interact. energy: -0.000 local terms energy: -20.859380 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -39.368590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.368590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.368590 (E_RNA) where: Base-Base interactions energy: -15.420 where: short stacking energy: -15.420 Base-Backbone interact. energy: -0.001 local terms energy: -23.947933 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -36.760953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.760953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.760953 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.027 local terms energy: -24.819467 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.432 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: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -35.267113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267113 (E_RNA) where: Base-Base interactions energy: -11.619 where: short stacking energy: -11.619 Base-Backbone interact. energy: -0.022 local terms energy: -23.625650 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -36.281640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.281640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.281640 (E_RNA) where: Base-Base interactions energy: -14.802 where: short stacking energy: -14.802 Base-Backbone interact. energy: -0.067 local terms energy: -21.412337 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -2.901 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: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -31.523825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.523825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.523825 (E_RNA) where: Base-Base interactions energy: -8.756 where: short stacking energy: -8.756 Base-Backbone interact. energy: -0.001 local terms energy: -22.766589 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.222 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: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -33.694038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.694038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.694038 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.085 local terms energy: -23.885764 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -34.389745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.389745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.389745 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.452 Base-Backbone interact. energy: 0.679 local terms energy: -21.617659 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -4.503 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -32.180748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180748 (E_RNA) where: Base-Base interactions energy: -9.978 where: short stacking energy: -9.978 Base-Backbone interact. energy: -0.036 local terms energy: -22.166356 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -29.954957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.954957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.954957 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.451 Base-Backbone interact. energy: -0.017 local terms energy: -22.889752 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -27.592397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.592397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.592397 (E_RNA) where: Base-Base interactions energy: -9.093 where: short stacking energy: -9.093 Base-Backbone interact. energy: -0.044 local terms energy: -18.455551 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -3.615 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: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -37.096861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.096861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.096861 (E_RNA) where: Base-Base interactions energy: -16.558 where: short stacking energy: -16.632 Base-Backbone interact. energy: -0.001 local terms energy: -20.537289 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -2.790 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: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -37.491076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.491076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.491076 (E_RNA) where: Base-Base interactions energy: -14.369 where: short stacking energy: -14.369 Base-Backbone interact. energy: -0.047 local terms energy: -23.075724 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -41.575697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.575697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.575697 (E_RNA) where: Base-Base interactions energy: -16.443 where: short stacking energy: -16.443 Base-Backbone interact. energy: -0.050 local terms energy: -25.082048 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -5.406 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: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -36.632651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.632651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.632651 (E_RNA) where: Base-Base interactions energy: -15.546 where: short stacking energy: -15.546 Base-Backbone interact. energy: -0.003 local terms energy: -21.083483 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -2.961 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -28.332805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.332805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.332805 (E_RNA) where: Base-Base interactions energy: -9.674 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.000 local terms energy: -18.659141 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -2.832 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: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -31.724491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.724491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.724491 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.000 local terms energy: -19.956283 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -2.412 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -33.872922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872922 (E_RNA) where: Base-Base interactions energy: -12.089 where: short stacking energy: -12.089 Base-Backbone interact. energy: -0.075 local terms energy: -21.708783 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -34.408638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.408638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.408638 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: -0.781 local terms energy: -23.350069 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -31.263852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.263852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.263852 (E_RNA) where: Base-Base interactions energy: -7.577 where: short stacking energy: -7.577 Base-Backbone interact. energy: -0.070 local terms energy: -23.616582 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -31.853776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.853776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.853776 (E_RNA) where: Base-Base interactions energy: -12.582 where: short stacking energy: -12.582 Base-Backbone interact. energy: -0.872 local terms energy: -18.399303 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -40.383154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.383154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.383154 (E_RNA) where: Base-Base interactions energy: -16.564 where: short stacking energy: -16.564 Base-Backbone interact. energy: -0.000 local terms energy: -23.819640 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -2.563 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: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -35.920890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.920890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.920890 (E_RNA) where: Base-Base interactions energy: -14.647 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.014 local terms energy: -21.259978 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -39.227647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227647 (E_RNA) where: Base-Base interactions energy: -14.100 where: short stacking energy: -14.100 Base-Backbone interact. energy: -0.000 local terms energy: -25.127252 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.711 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: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -36.805838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.805838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.805838 (E_RNA) where: Base-Base interactions energy: -12.301 where: short stacking energy: -12.333 Base-Backbone interact. energy: -0.000 local terms energy: -24.504317 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -4.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -34.608169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.608169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.608169 (E_RNA) where: Base-Base interactions energy: -14.412 where: short stacking energy: -14.412 Base-Backbone interact. energy: -0.100 local terms energy: -20.096271 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.305 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: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -36.171060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.171060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.171060 (E_RNA) where: Base-Base interactions energy: -15.446 where: short stacking energy: -15.446 Base-Backbone interact. energy: -0.000 local terms energy: -20.724383 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -1.073 tors. eta vs tors. theta energy: -6.363 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: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -28.643309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.643309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.643309 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.006 local terms energy: -20.021263 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -4.415 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: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -29.047801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.047801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.047801 (E_RNA) where: Base-Base interactions energy: -7.182 where: short stacking energy: -7.182 Base-Backbone interact. energy: -0.086 local terms energy: -21.779623 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -30.596047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.596047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.596047 (E_RNA) where: Base-Base interactions energy: -8.479 where: short stacking energy: -8.479 Base-Backbone interact. energy: -1.134 local terms energy: -20.983766 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -29.331261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.331261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.331261 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.071 local terms energy: -17.709093 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -2.831 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -4.184 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: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -40.130761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.130761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.130761 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.002 local terms energy: -24.281943 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -37.695937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.695937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.695937 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.688 Base-Backbone interact. energy: -0.277 local terms energy: -24.731122 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -4.348 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: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -34.627294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.627294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.627294 (E_RNA) where: Base-Base interactions energy: -11.261 where: short stacking energy: -11.261 Base-Backbone interact. energy: -0.000 local terms energy: -23.366332 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -4.776 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: 4, replica: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -37.666865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.666865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.666865 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: 0.168 local terms energy: -27.515839 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -35.802240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.802240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.802240 (E_RNA) where: Base-Base interactions energy: -9.545 where: short stacking energy: -9.545 Base-Backbone interact. energy: -0.000 local terms energy: -26.257178 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -28.935710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.935710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.935710 (E_RNA) where: Base-Base interactions energy: -7.107 where: short stacking energy: -7.107 Base-Backbone interact. energy: -0.114 local terms energy: -21.714856 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -4.718 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: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -31.693265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.693265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.693265 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -9.708 Base-Backbone interact. energy: -0.030 local terms energy: -21.954491 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.542 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -32.448641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.448641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.448641 (E_RNA) where: Base-Base interactions energy: -8.478 where: short stacking energy: -8.478 Base-Backbone interact. energy: -0.041 local terms energy: -23.929818 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -2.938 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: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -33.132752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.132752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.132752 (E_RNA) where: Base-Base interactions energy: -11.406 where: short stacking energy: -11.406 Base-Backbone interact. energy: -0.033 local terms energy: -21.693305 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -3.796 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: 10, replica: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -26.443429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.443429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.443429 (E_RNA) where: Base-Base interactions energy: -4.047 where: short stacking energy: -4.203 Base-Backbone interact. energy: -0.000 local terms energy: -22.396519 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -39.681759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.681759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.681759 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.000 local terms energy: -26.681179 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -37.360155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.360155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.360155 (E_RNA) where: Base-Base interactions energy: -17.244 where: short stacking energy: -17.244 Base-Backbone interact. energy: -0.000 local terms energy: -20.115810 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -1.096 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: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -38.584094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.584094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.584094 (E_RNA) where: Base-Base interactions energy: -16.214 where: short stacking energy: -16.214 Base-Backbone interact. energy: 0.127 local terms energy: -22.497081 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -36.627171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.627171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.627171 (E_RNA) where: Base-Base interactions energy: -13.916 where: short stacking energy: -13.916 Base-Backbone interact. energy: -0.001 local terms energy: -22.710440 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -32.980859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.980859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.980859 (E_RNA) where: Base-Base interactions energy: -14.884 where: short stacking energy: -14.884 Base-Backbone interact. energy: -0.000 local terms energy: -18.096589 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: 1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -31.611093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.611093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.611093 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.002 local terms energy: -18.297092 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -1.473 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -30.537989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.537989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.537989 (E_RNA) where: Base-Base interactions energy: -11.603 where: short stacking energy: -11.603 Base-Backbone interact. energy: -0.006 local terms energy: -18.929339 where: bonds (distance) C4'-P energy: -2.235 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -29.679518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.679518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.679518 (E_RNA) where: Base-Base interactions energy: -8.715 where: short stacking energy: -8.736 Base-Backbone interact. energy: -0.075 local terms energy: -20.889132 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.398 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.922 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: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -29.840331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.840331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.840331 (E_RNA) where: Base-Base interactions energy: -9.319 where: short stacking energy: -9.319 Base-Backbone interact. energy: 0.751 local terms energy: -21.272549 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -3.068 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -29.051728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.051728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.051728 (E_RNA) where: Base-Base interactions energy: -6.494 where: short stacking energy: -6.494 Base-Backbone interact. energy: -0.000 local terms energy: -22.558026 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -2.126 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -39.318091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.318091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.318091 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.104 local terms energy: -25.496686 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -39.398173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.398173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.398173 (E_RNA) where: Base-Base interactions energy: -14.308 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.005 local terms energy: -25.084416 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -34.947829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.947829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.947829 (E_RNA) where: Base-Base interactions energy: -13.523 where: short stacking energy: -13.523 Base-Backbone interact. energy: -0.000 local terms energy: -21.424397 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -36.479578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.479578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.479578 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.029 local terms energy: -25.706427 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -31.143685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.143685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.143685 (E_RNA) where: Base-Base interactions energy: -8.787 where: short stacking energy: -8.787 Base-Backbone interact. energy: -0.018 local terms energy: -22.338711 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: 0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -37.235476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.235476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.235476 (E_RNA) where: Base-Base interactions energy: -14.072 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.000 local terms energy: -23.163802 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.467 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: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -30.388871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.388871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.388871 (E_RNA) where: Base-Base interactions energy: -7.964 where: short stacking energy: -7.964 Base-Backbone interact. energy: -0.032 local terms energy: -22.392668 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -5.198 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: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -29.088004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.088004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.088004 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.096 local terms energy: -20.263709 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.405 flat angles P-C4'-P energy: -2.654 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: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -32.445560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.445560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.445560 (E_RNA) where: Base-Base interactions energy: -9.489 where: short stacking energy: -9.489 Base-Backbone interact. energy: -0.011 local terms energy: -22.945475 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -31.447722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.447722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.447722 (E_RNA) where: Base-Base interactions energy: -8.354 where: short stacking energy: -8.354 Base-Backbone interact. energy: -0.002 local terms energy: -23.092099 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -38.737855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.737855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.737855 (E_RNA) where: Base-Base interactions energy: -14.134 where: short stacking energy: -14.134 Base-Backbone interact. energy: -0.000 local terms energy: -24.603776 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -38.799342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.799342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.799342 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.624 Base-Backbone interact. energy: -0.000 local terms energy: -25.174907 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -44.255588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.255588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.255588 (E_RNA) where: Base-Base interactions energy: -17.452 where: short stacking energy: -17.452 Base-Backbone interact. energy: -0.000 local terms energy: -26.803389 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -39.849653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.849653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.849653 (E_RNA) where: Base-Base interactions energy: -16.857 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.000 local terms energy: -22.992409 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -1.897 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -38.178264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.178264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.178264 (E_RNA) where: Base-Base interactions energy: -16.319 where: short stacking energy: -16.319 Base-Backbone interact. energy: -0.100 local terms energy: -21.759299 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.707 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: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -30.615593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.615593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.615593 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.045 local terms energy: -20.957199 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.280 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: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -34.307211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.307211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.307211 (E_RNA) where: Base-Base interactions energy: -13.941 where: short stacking energy: -13.941 Base-Backbone interact. energy: -0.000 local terms energy: -20.366020 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -35.147387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147387 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: -0.099 local terms energy: -23.327370 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -34.491839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491839 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.053 local terms energy: -24.348003 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -27.665504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.665504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.665504 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: 0.348 local terms energy: -17.283907 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.330 flat angles P-C4'-P energy: -1.117 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: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -39.220156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.220156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.220156 (E_RNA) where: Base-Base interactions energy: -13.521 where: short stacking energy: -13.521 Base-Backbone interact. energy: -0.002 local terms energy: -25.697120 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -39.337357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.337357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.337357 (E_RNA) where: Base-Base interactions energy: -14.650 where: short stacking energy: -14.650 Base-Backbone interact. energy: -0.000 local terms energy: -24.686667 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -41.432334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.432334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.432334 (E_RNA) where: Base-Base interactions energy: -15.897 where: short stacking energy: -15.897 Base-Backbone interact. energy: -0.000 local terms energy: -25.535148 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -2.250 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -36.383213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.383213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.383213 (E_RNA) where: Base-Base interactions energy: -13.921 where: short stacking energy: -13.921 Base-Backbone interact. energy: -0.000 local terms energy: -22.462121 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -36.899916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899916 (E_RNA) where: Base-Base interactions energy: -16.773 where: short stacking energy: -16.773 Base-Backbone interact. energy: -0.017 local terms energy: -20.109770 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -33.895930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.895930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.895930 (E_RNA) where: Base-Base interactions energy: -9.821 where: short stacking energy: -9.821 Base-Backbone interact. energy: -0.063 local terms energy: -24.012028 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -31.596238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.596238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.596238 (E_RNA) where: Base-Base interactions energy: -12.133 where: short stacking energy: -12.133 Base-Backbone interact. energy: -0.000 local terms energy: -19.462826 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -35.252417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252417 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.087 local terms energy: -21.410257 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -31.230588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.230588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.230588 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.003 local terms energy: -22.561052 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -32.342073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342073 (E_RNA) where: Base-Base interactions energy: -9.637 where: short stacking energy: -9.637 Base-Backbone interact. energy: 0.219 local terms energy: -22.923847 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -5.687 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -4.503 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: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -37.115653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.115653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.115653 (E_RNA) where: Base-Base interactions energy: -14.534 where: short stacking energy: -14.534 Base-Backbone interact. energy: -0.000 local terms energy: -22.581608 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -41.288615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.288615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.288615 (E_RNA) where: Base-Base interactions energy: -15.381 where: short stacking energy: -15.381 Base-Backbone interact. energy: -0.000 local terms energy: -25.907143 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -36.159236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.159236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.159236 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.607 Base-Backbone interact. energy: -0.064 local terms energy: -22.488635 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -39.684084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.684084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.684084 (E_RNA) where: Base-Base interactions energy: -15.639 where: short stacking energy: -15.639 Base-Backbone interact. energy: -0.001 local terms energy: -24.044405 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -35.798163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.798163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.798163 (E_RNA) where: Base-Base interactions energy: -13.515 where: short stacking energy: -13.515 Base-Backbone interact. energy: -0.002 local terms energy: -22.281961 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -31.962954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.962954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.962954 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.007 local terms energy: -23.330701 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -30.091198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.091198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.091198 (E_RNA) where: Base-Base interactions energy: -7.920 where: short stacking energy: -7.920 Base-Backbone interact. energy: -0.094 local terms energy: -22.077227 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -30.329965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.329965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.329965 (E_RNA) where: Base-Base interactions energy: -8.536 where: short stacking energy: -8.536 Base-Backbone interact. energy: -0.189 local terms energy: -21.605200 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -27.696385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.696385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.696385 (E_RNA) where: Base-Base interactions energy: -7.682 where: short stacking energy: -7.682 Base-Backbone interact. energy: -0.020 local terms energy: -19.994507 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: 0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -31.458059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.458059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.458059 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.000 local terms energy: -22.412741 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -2.800 flat angles P-C4'-P energy: -5.211 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: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -40.372370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.372370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.372370 (E_RNA) where: Base-Base interactions energy: -16.455 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.100 local terms energy: -23.818084 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -3.481 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: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -43.781445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.781445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.781445 (E_RNA) where: Base-Base interactions energy: -14.370 where: short stacking energy: -14.370 Base-Backbone interact. energy: -0.000 local terms energy: -29.411192 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -7.159 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: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -39.618894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.618894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.618894 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -13.293 Base-Backbone interact. energy: -0.000 local terms energy: -26.325693 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -35.121934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.121934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.121934 (E_RNA) where: Base-Base interactions energy: -13.176 where: short stacking energy: -13.676 Base-Backbone interact. energy: -0.000 local terms energy: -21.946051 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -38.911968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.911968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.911968 (E_RNA) where: Base-Base interactions energy: -15.562 where: short stacking energy: -15.562 Base-Backbone interact. energy: -0.012 local terms energy: -23.338322 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -33.842982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.842982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.842982 (E_RNA) where: Base-Base interactions energy: -8.175 where: short stacking energy: -8.175 Base-Backbone interact. energy: -0.001 local terms energy: -25.667004 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -30.889639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.889639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.889639 (E_RNA) where: Base-Base interactions energy: -9.050 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.011 local terms energy: -21.829161 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -35.582916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.582916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.582916 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.000 local terms energy: -22.869037 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -30.760004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.760004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.760004 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.206 local terms energy: -22.199093 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -5.114 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: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -28.585528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.585528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.585528 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.061 local terms energy: -18.391062 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -37.081694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.081694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.081694 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.000 local terms energy: -24.542346 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -36.550893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.550893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.550893 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.001 local terms energy: -23.350858 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.389 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: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -34.661091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.661091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.661091 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.086 local terms energy: -22.708647 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -33.065012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.065012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.065012 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.002 local terms energy: -20.320869 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.194 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: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -37.336843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.336843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.336843 (E_RNA) where: Base-Base interactions energy: -13.123 where: short stacking energy: -13.123 Base-Backbone interact. energy: -0.000 local terms energy: -24.214086 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -31.676050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676050 (E_RNA) where: Base-Base interactions energy: -10.247 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.001 local terms energy: -21.427966 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -34.375278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375278 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.003 local terms energy: -22.514765 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.942 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: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -30.856986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.856986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.856986 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.089 local terms energy: -17.491933 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: 0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -30.728898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728898 (E_RNA) where: Base-Base interactions energy: -9.532 where: short stacking energy: -9.532 Base-Backbone interact. energy: -0.055 local terms energy: -21.141961 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -30.266587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.266587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.266587 (E_RNA) where: Base-Base interactions energy: -8.994 where: short stacking energy: -8.994 Base-Backbone interact. energy: -0.004 local terms energy: -21.268704 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.050 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: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -40.733247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.733247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.733247 (E_RNA) where: Base-Base interactions energy: -14.193 where: short stacking energy: -14.193 Base-Backbone interact. energy: -0.046 local terms energy: -26.493529 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -40.582136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582136 (E_RNA) where: Base-Base interactions energy: -15.839 where: short stacking energy: -15.839 Base-Backbone interact. energy: -0.004 local terms energy: -24.739672 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -36.807606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.807606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.807606 (E_RNA) where: Base-Base interactions energy: -13.453 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.003 local terms energy: -23.351551 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -4.472 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: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -33.950201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.950201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.950201 (E_RNA) where: Base-Base interactions energy: -12.117 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.000 local terms energy: -21.832297 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -1.832 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -30.014446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014446 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.001 local terms energy: -21.676605 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -34.120784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.120784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.120784 (E_RNA) where: Base-Base interactions energy: -10.262 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.065 local terms energy: -23.793969 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -33.927508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.927508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.927508 (E_RNA) where: Base-Base interactions energy: -9.675 where: short stacking energy: -9.675 Base-Backbone interact. energy: -0.002 local terms energy: -24.249834 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -5.478 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: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -32.662001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.662001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.662001 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.000 local terms energy: -22.739972 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -3.488 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: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -29.660542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.660542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.660542 (E_RNA) where: Base-Base interactions energy: -8.767 where: short stacking energy: -8.767 Base-Backbone interact. energy: -0.101 local terms energy: -20.792875 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.509 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: 10, replica: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -27.637710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.637710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.637710 (E_RNA) where: Base-Base interactions energy: -8.578 where: short stacking energy: -8.578 Base-Backbone interact. energy: -0.010 local terms energy: -19.049772 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -41.224253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.224253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.224253 (E_RNA) where: Base-Base interactions energy: -15.810 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.011 local terms energy: -25.402553 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -40.237114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.237114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.237114 (E_RNA) where: Base-Base interactions energy: -14.170 where: short stacking energy: -14.170 Base-Backbone interact. energy: -0.001 local terms energy: -26.066334 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -42.460945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.460945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.460945 (E_RNA) where: Base-Base interactions energy: -16.092 where: short stacking energy: -14.950 Base-Backbone interact. energy: -0.080 local terms energy: -26.288629 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -35.248948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248948 (E_RNA) where: Base-Base interactions energy: -12.199 where: short stacking energy: -12.199 Base-Backbone interact. energy: -0.021 local terms energy: -23.028592 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -31.092731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.092731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.092731 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.001 local terms energy: -21.043504 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.081 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: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -31.808939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.808939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.808939 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.002 local terms energy: -19.887056 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -32.608612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608612 (E_RNA) where: Base-Base interactions energy: -14.080 where: short stacking energy: -15.180 Base-Backbone interact. energy: -0.003 local terms energy: -18.525641 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.833 flat angles P-C4'-P energy: -2.535 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: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -31.152178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.152178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.152178 (E_RNA) where: Base-Base interactions energy: -10.109 where: short stacking energy: -10.109 Base-Backbone interact. energy: -0.469 local terms energy: -20.574215 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -29.460569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.460569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.460569 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.000 local terms energy: -18.408925 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -3.257 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -28.951768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.951768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.951768 (E_RNA) where: Base-Base interactions energy: -6.792 where: short stacking energy: -6.885 Base-Backbone interact. energy: -0.008 local terms energy: -22.152395 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.604 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: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -42.653162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.653162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.653162 (E_RNA) where: Base-Base interactions energy: -17.562 where: short stacking energy: -17.562 Base-Backbone interact. energy: -0.000 local terms energy: -25.090742 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -38.024260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.024260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.024260 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.015 local terms energy: -23.426478 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -33.370792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.370792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.370792 (E_RNA) where: Base-Base interactions energy: -11.664 where: short stacking energy: -11.664 Base-Backbone interact. energy: -0.009 local terms energy: -21.697364 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -5.096 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: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -33.163442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163442 (E_RNA) where: Base-Base interactions energy: -12.247 where: short stacking energy: -12.247 Base-Backbone interact. energy: -0.000 local terms energy: -20.915555 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -36.474596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.474596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.474596 (E_RNA) where: Base-Base interactions energy: -11.514 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.002 local terms energy: -24.957778 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -3.021 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: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -32.087810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.087810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.087810 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.003 local terms energy: -22.577471 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -3.434 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: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -33.552947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.552947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.552947 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.063 local terms energy: -23.469284 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -5.067 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: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -33.793990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793990 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.000 local terms energy: -21.969743 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -4.724 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: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -27.899864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.899864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.899864 (E_RNA) where: Base-Base interactions energy: -6.921 where: short stacking energy: -6.921 Base-Backbone interact. energy: -0.000 local terms energy: -20.978853 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -26.118924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.118924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.118924 (E_RNA) where: Base-Base interactions energy: -6.592 where: short stacking energy: -6.592 Base-Backbone interact. energy: -0.005 local terms energy: -19.522452 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -4.070 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: 1, replica: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -43.355260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.355260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.355260 (E_RNA) where: Base-Base interactions energy: -17.895 where: short stacking energy: -17.895 Base-Backbone interact. energy: -0.043 local terms energy: -25.416999 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -36.549603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.549603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.549603 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.093 local terms energy: -26.442895 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -34.706868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.706868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.706868 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.003 local terms energy: -23.289849 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -34.246036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.246036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.246036 (E_RNA) where: Base-Base interactions energy: -9.766 where: short stacking energy: -9.766 Base-Backbone interact. energy: -0.034 local terms energy: -24.446164 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.461 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: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -32.505789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.505789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.505789 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -9.719 Base-Backbone interact. energy: -0.007 local terms energy: -22.779975 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.862 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -34.567080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.567080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.567080 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.093 local terms energy: -22.463681 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -1.314 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -32.161853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161853 (E_RNA) where: Base-Base interactions energy: -11.486 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.022 local terms energy: -20.653756 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -29.412271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.412271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.412271 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.002 local terms energy: -18.713578 where: bonds (distance) C4'-P energy: -3.638 bonds (distance) P-C4' energy: -3.049 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -33.216547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.216547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.216547 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.029 local terms energy: -21.045710 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -26.787043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.787043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.787043 (E_RNA) where: Base-Base interactions energy: -5.218 where: short stacking energy: -5.218 Base-Backbone interact. energy: -0.019 local terms energy: -21.549167 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: 0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -41.312100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.312100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.312100 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -17.152 Base-Backbone interact. energy: -0.000 local terms energy: -24.160405 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.097 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -33.654497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.654497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.654497 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.000 local terms energy: -19.708381 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -0.974 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -36.457775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457775 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.000 local terms energy: -22.814365 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -3.473 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: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -32.479978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.479978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.479978 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -13.922 Base-Backbone interact. energy: -0.039 local terms energy: -18.519320 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -39.656988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.656988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.656988 (E_RNA) where: Base-Base interactions energy: -15.371 where: short stacking energy: -15.371 Base-Backbone interact. energy: -0.000 local terms energy: -24.286074 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -37.062340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.062340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.062340 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.002 local terms energy: -23.765343 where: bonds (distance) C4'-P energy: -3.511 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -32.608028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608028 (E_RNA) where: Base-Base interactions energy: -10.846 where: short stacking energy: -10.846 Base-Backbone interact. energy: -0.196 local terms energy: -21.565647 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.811 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: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -31.087919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.087919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.087919 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: -0.047 local terms energy: -21.242213 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.036 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: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -29.700031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.700031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.700031 (E_RNA) where: Base-Base interactions energy: -5.097 where: short stacking energy: -5.097 Base-Backbone interact. energy: -0.002 local terms energy: -24.600621 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -31.333767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.333767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.333767 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.000 local terms energy: -23.523466 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -37.923776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.923776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.923776 (E_RNA) where: Base-Base interactions energy: -12.349 where: short stacking energy: -12.349 Base-Backbone interact. energy: -0.054 local terms energy: -25.521288 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -42.294244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.294244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.294244 (E_RNA) where: Base-Base interactions energy: -18.327 where: short stacking energy: -18.327 Base-Backbone interact. energy: -0.003 local terms energy: -23.964577 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -4.462 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: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -35.503197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.503197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.503197 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.027 local terms energy: -22.748622 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -34.961777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.961777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.961777 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -12.033 Base-Backbone interact. energy: -0.001 local terms energy: -22.928069 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -32.861575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.861575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.861575 (E_RNA) where: Base-Base interactions energy: -11.889 where: short stacking energy: -11.889 Base-Backbone interact. energy: -0.067 local terms energy: -20.905561 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: 0.523 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -33.349198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.349198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.349198 (E_RNA) where: Base-Base interactions energy: -10.794 where: short stacking energy: -10.794 Base-Backbone interact. energy: -0.001 local terms energy: -22.554338 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -3.700 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: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -37.347451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.347451 (E_RNA) where: Base-Base interactions energy: -12.270 where: short stacking energy: -12.270 Base-Backbone interact. energy: -0.000 local terms energy: -25.077294 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -33.461809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.461809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.461809 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.000 local terms energy: -20.167053 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -3.902 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: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -28.598804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.598804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.598804 (E_RNA) where: Base-Base interactions energy: -9.102 where: short stacking energy: -9.102 Base-Backbone interact. energy: -0.001 local terms energy: -19.496480 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -1.285 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -27.853829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.853829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.853829 (E_RNA) where: Base-Base interactions energy: -8.986 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.180 local terms energy: -18.687486 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: 1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -40.038429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.038429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.038429 (E_RNA) where: Base-Base interactions energy: -17.183 where: short stacking energy: -17.183 Base-Backbone interact. energy: -0.000 local terms energy: -22.854968 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -2.775 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: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -32.010714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.010714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.010714 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.030 local terms energy: -22.437306 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.350 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: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -37.684647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.684647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.684647 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: 0.234 local terms energy: -24.495432 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -40.560044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.560044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.560044 (E_RNA) where: Base-Base interactions energy: -14.685 where: short stacking energy: -14.685 Base-Backbone interact. energy: -0.000 local terms energy: -25.875188 where: bonds (distance) C4'-P energy: -2.243 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -34.887705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.887705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.887705 (E_RNA) where: Base-Base interactions energy: -13.697 where: short stacking energy: -13.697 Base-Backbone interact. energy: -0.020 local terms energy: -21.170250 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -32.195301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.195301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.195301 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -8.026 Base-Backbone interact. energy: -0.047 local terms energy: -24.836822 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -5.137 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: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -34.695531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.695531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.695531 (E_RNA) where: Base-Base interactions energy: -13.645 where: short stacking energy: -13.645 Base-Backbone interact. energy: -0.001 local terms energy: -21.050311 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -33.111310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111310 (E_RNA) where: Base-Base interactions energy: -11.821 where: short stacking energy: -11.821 Base-Backbone interact. energy: -0.009 local terms energy: -21.281578 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -25.858023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.858023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.858023 (E_RNA) where: Base-Base interactions energy: -8.817 where: short stacking energy: -8.817 Base-Backbone interact. energy: 1.029 local terms energy: -18.069714 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: 1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -28.609829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.609829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.609829 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.003 local terms energy: -20.590774 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -44.925944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.925944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.925944 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.000 local terms energy: -28.599006 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -43.777892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.777892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.777892 (E_RNA) where: Base-Base interactions energy: -18.538 where: short stacking energy: -18.538 Base-Backbone interact. energy: -0.047 local terms energy: -25.193125 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -5.172 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: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -34.806810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.806810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.806810 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.011 local terms energy: -21.597174 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -38.127069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.127069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.127069 (E_RNA) where: Base-Base interactions energy: -15.759 where: short stacking energy: -15.759 Base-Backbone interact. energy: -0.002 local terms energy: -22.366280 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.956 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: 5, replica: 7 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -33.342838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.342838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.342838 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -13.626 Base-Backbone interact. energy: 0.050 local terms energy: -19.766294 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -2.313 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: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -33.172815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.172815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.172815 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.000 local terms energy: -22.968154 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -35.565518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.565518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.565518 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.000 local terms energy: -23.654507 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -32.426201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.426201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.426201 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.000 local terms energy: -22.553389 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -28.349498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.349498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.349498 (E_RNA) where: Base-Base interactions energy: -9.937 where: short stacking energy: -9.937 Base-Backbone interact. energy: -0.030 local terms energy: -18.383112 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: 2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -30.818940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.818940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.818940 (E_RNA) where: Base-Base interactions energy: -9.956 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.000 local terms energy: -20.863101 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.169 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: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -38.166992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.166992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.166992 (E_RNA) where: Base-Base interactions energy: -15.412 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.024 local terms energy: -22.731047 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.304 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: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -38.402980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.402980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.402980 (E_RNA) where: Base-Base interactions energy: -10.802 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.000 local terms energy: -27.601026 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -36.908689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.908689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.908689 (E_RNA) where: Base-Base interactions energy: -12.026 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.000 local terms energy: -24.882642 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -36.635937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.635937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.635937 (E_RNA) where: Base-Base interactions energy: -12.311 where: short stacking energy: -12.311 Base-Backbone interact. energy: -0.002 local terms energy: -24.322812 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -32.544057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.544057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.544057 (E_RNA) where: Base-Base interactions energy: -10.825 where: short stacking energy: -10.825 Base-Backbone interact. energy: 0.393 local terms energy: -22.112301 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.767 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: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -32.029846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.029846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.029846 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.000 local terms energy: -22.623408 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -30.045598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.045598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.045598 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.000 local terms energy: -20.119094 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -29.804047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.804047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.804047 (E_RNA) where: Base-Base interactions energy: -12.481 where: short stacking energy: -12.481 Base-Backbone interact. energy: -0.006 local terms energy: -17.317244 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.621 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -32.511198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.511198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.511198 (E_RNA) where: Base-Base interactions energy: -12.734 where: short stacking energy: -12.734 Base-Backbone interact. energy: -0.000 local terms energy: -19.777267 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -2.684 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: 10, replica: 2 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -34.577511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.577511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.577511 (E_RNA) where: Base-Base interactions energy: -13.549 where: short stacking energy: -13.549 Base-Backbone interact. energy: -0.000 local terms energy: -21.028863 where: bonds (distance) C4'-P energy: -1.779 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -42.302331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.302331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.302331 (E_RNA) where: Base-Base interactions energy: -17.533 where: short stacking energy: -17.533 Base-Backbone interact. energy: -0.003 local terms energy: -24.766065 where: bonds (distance) C4'-P energy: -3.829 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -39.094821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.094821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.094821 (E_RNA) where: Base-Base interactions energy: -16.578 where: short stacking energy: -16.578 Base-Backbone interact. energy: -0.000 local terms energy: -22.517156 where: bonds (distance) C4'-P energy: -3.345 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -33.515283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515283 (E_RNA) where: Base-Base interactions energy: -12.488 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.101 local terms energy: -20.926596 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -38.047299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.047299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.047299 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.001 local terms energy: -24.751503 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.806 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -34.007643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.007643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.007643 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.001 local terms energy: -20.076071 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -2.546 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: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -34.379496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.379496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.379496 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: -0.005 local terms energy: -24.961026 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -31.862232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.862232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.862232 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -12.863 Base-Backbone interact. energy: -0.013 local terms energy: -18.986794 where: bonds (distance) C4'-P energy: -3.394 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -1.880 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: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -34.155404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.155404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.155404 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.000 local terms energy: -22.626339 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -28.906531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.906531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.906531 (E_RNA) where: Base-Base interactions energy: -9.015 where: short stacking energy: -8.960 Base-Backbone interact. energy: -0.085 local terms energy: -19.805732 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -32.895587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.895587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.895587 (E_RNA) where: Base-Base interactions energy: -12.577 where: short stacking energy: -12.577 Base-Backbone interact. energy: -0.001 local terms energy: -20.317226 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -1.182 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -38.059040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.059040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.059040 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.070 local terms energy: -24.817219 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -34.448051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.448051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.448051 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.000 local terms energy: -25.296088 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -35.471518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.471518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.471518 (E_RNA) where: Base-Base interactions energy: -10.391 where: short stacking energy: -10.391 Base-Backbone interact. energy: -0.000 local terms energy: -25.080778 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.758 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: 4, replica: 9 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -37.090994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.090994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.090994 (E_RNA) where: Base-Base interactions energy: -12.323 where: short stacking energy: -12.323 Base-Backbone interact. energy: -0.001 local terms energy: -24.766932 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -33.260612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.260612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.260612 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.404 local terms energy: -24.555142 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.715 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: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -35.307176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307176 (E_RNA) where: Base-Base interactions energy: -13.405 where: short stacking energy: -13.405 Base-Backbone interact. energy: -0.035 local terms energy: -21.867541 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -3.214 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: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -31.681587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.681587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.681587 (E_RNA) where: Base-Base interactions energy: -12.553 where: short stacking energy: -12.553 Base-Backbone interact. energy: -0.073 local terms energy: -19.055984 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -30.117051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.117051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.117051 (E_RNA) where: Base-Base interactions energy: -10.964 where: short stacking energy: -10.964 Base-Backbone interact. energy: -0.005 local terms energy: -19.147603 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: 0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -34.287877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.287877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.287877 (E_RNA) where: Base-Base interactions energy: -9.306 where: short stacking energy: -9.306 Base-Backbone interact. energy: -0.000 local terms energy: -24.981442 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -28.408681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.408681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.408681 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.100 local terms energy: -19.228308 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -2.275 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: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -40.685984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.685984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.685984 (E_RNA) where: Base-Base interactions energy: -12.899 where: short stacking energy: -12.899 Base-Backbone interact. energy: -0.000 local terms energy: -27.787222 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -42.237875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.237875 (E_RNA) where: Base-Base interactions energy: -16.895 where: short stacking energy: -16.895 Base-Backbone interact. energy: -0.000 local terms energy: -25.342809 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -36.541230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.541230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.541230 (E_RNA) where: Base-Base interactions energy: -10.739 where: short stacking energy: -10.739 Base-Backbone interact. energy: -0.024 local terms energy: -25.778303 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -39.935285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.935285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.935285 (E_RNA) where: Base-Base interactions energy: -15.045 where: short stacking energy: -15.045 Base-Backbone interact. energy: -0.000 local terms energy: -24.890136 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -38.482578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.482578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.482578 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.000 local terms energy: -25.119208 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -36.656269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.656269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.656269 (E_RNA) where: Base-Base interactions energy: -14.335 where: short stacking energy: -14.335 Base-Backbone interact. energy: -0.001 local terms energy: -22.319587 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -3.499 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: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -28.214816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.214816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.214816 (E_RNA) where: Base-Base interactions energy: -10.074 where: short stacking energy: -10.074 Base-Backbone interact. energy: -0.003 local terms energy: -18.137255 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -2.539 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -3.641 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: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -33.979676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.979676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.979676 (E_RNA) where: Base-Base interactions energy: -12.064 where: short stacking energy: -12.064 Base-Backbone interact. energy: -0.125 local terms energy: -21.791000 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -5.118 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: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -27.073802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.073802 (E_RNA) where: Base-Base interactions energy: -8.487 where: short stacking energy: -8.487 Base-Backbone interact. energy: -0.053 local terms energy: -18.533188 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.367 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -30.313022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.313022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.313022 (E_RNA) where: Base-Base interactions energy: -9.339 where: short stacking energy: -9.339 Base-Backbone interact. energy: -0.000 local terms energy: -20.974112 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -43.543416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.543416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.543416 (E_RNA) where: Base-Base interactions energy: -18.042 where: short stacking energy: -18.042 Base-Backbone interact. energy: -0.001 local terms energy: -25.500646 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -37.924473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.924473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.924473 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.001 local terms energy: -23.876471 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.373 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: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -41.010350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.010350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.010350 (E_RNA) where: Base-Base interactions energy: -14.290 where: short stacking energy: -14.290 Base-Backbone interact. energy: -0.000 local terms energy: -26.719911 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -5.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -39.292400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.292400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.292400 (E_RNA) where: Base-Base interactions energy: -16.383 where: short stacking energy: -16.383 Base-Backbone interact. energy: -0.001 local terms energy: -22.908974 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -33.424080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.424080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.424080 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.012 local terms energy: -20.733786 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -35.309516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.309516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.309516 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.036 local terms energy: -21.196546 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -30.326082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.326082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.326082 (E_RNA) where: Base-Base interactions energy: -13.040 where: short stacking energy: -13.040 Base-Backbone interact. energy: -0.006 local terms energy: -17.279474 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -0.933 flat angles P-C4'-P energy: -3.459 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: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -31.391991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391991 (E_RNA) where: Base-Base interactions energy: -9.049 where: short stacking energy: -9.049 Base-Backbone interact. energy: -0.199 local terms energy: -22.143683 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -29.608006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.608006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.608006 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.099 local terms energy: -22.190610 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.077 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: 124 Temperature: 1.350000 Total energy: -29.786886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.786886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.786886 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.010 local terms energy: -21.649120 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -2.902 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: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -42.339017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.339017 (E_RNA) where: Base-Base interactions energy: -18.970 where: short stacking energy: -18.970 Base-Backbone interact. energy: -0.000 local terms energy: -23.369402 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -39.003584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.003584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.003584 (E_RNA) where: Base-Base interactions energy: -14.568 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.016 local terms energy: -24.418829 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -3.001 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: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -36.588606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.588606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.588606 (E_RNA) where: Base-Base interactions energy: -13.030 where: short stacking energy: -13.030 Base-Backbone interact. energy: -0.000 local terms energy: -23.558204 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -5.030 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: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -35.407779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.407779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.407779 (E_RNA) where: Base-Base interactions energy: -10.181 where: short stacking energy: -10.181 Base-Backbone interact. energy: -0.685 local terms energy: -24.541626 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -32.247506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.247506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.247506 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.000 local terms energy: -23.248684 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.729 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: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -38.357299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.357299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.357299 (E_RNA) where: Base-Base interactions energy: -14.220 where: short stacking energy: -14.220 Base-Backbone interact. energy: -0.071 local terms energy: -24.065892 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.513 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -33.703826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.703826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.703826 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.001 local terms energy: -22.647877 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.330 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: 3 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -31.815415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.815415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.815415 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.000 local terms energy: -20.763817 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: 0.062 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -29.834362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.834362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.834362 (E_RNA) where: Base-Base interactions energy: -8.462 where: short stacking energy: -8.462 Base-Backbone interact. energy: -0.020 local terms energy: -21.351935 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -27.505431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.505431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.505431 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.000 local terms energy: -14.388767 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -1.652 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -0.698 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: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -42.661314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.661314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.661314 (E_RNA) where: Base-Base interactions energy: -16.418 where: short stacking energy: -16.418 Base-Backbone interact. energy: -0.021 local terms energy: -26.222462 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.760 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: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -38.924869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.924869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.924869 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.000 local terms energy: -24.996997 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -32.319870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.319870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.319870 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.000 local terms energy: -21.942960 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -3.987 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: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -36.538221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.538221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.538221 (E_RNA) where: Base-Base interactions energy: -11.354 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.000 local terms energy: -25.183513 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -39.897274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.897274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.897274 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.087 local terms energy: -25.759118 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -32.718216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718216 (E_RNA) where: Base-Base interactions energy: -13.720 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.009 local terms energy: -18.989333 where: bonds (distance) C4'-P energy: -1.813 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -32.774077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.774077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.774077 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -9.313 Base-Backbone interact. energy: -0.090 local terms energy: -23.371386 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -37.314355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314355 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: -0.003 local terms energy: -23.392616 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.402 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -27.428727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.428727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.428727 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.460 local terms energy: -20.428996 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -28.232518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.232518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.232518 (E_RNA) where: Base-Base interactions energy: -13.493 where: short stacking energy: -13.493 Base-Backbone interact. energy: -0.064 local terms energy: -14.675414 where: bonds (distance) C4'-P energy: -2.703 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -2.552 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: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -33.595612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.595612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.595612 (E_RNA) where: Base-Base interactions energy: -12.950 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.301 local terms energy: -20.344392 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -4.262 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: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -42.009551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.009551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.009551 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.000 local terms energy: -27.124310 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -36.543239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.543239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.543239 (E_RNA) where: Base-Base interactions energy: -13.613 where: short stacking energy: -13.613 Base-Backbone interact. energy: -0.001 local terms energy: -22.929096 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -5.151 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: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -28.065095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.065095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.065095 (E_RNA) where: Base-Base interactions energy: -6.010 where: short stacking energy: -6.010 Base-Backbone interact. energy: 0.071 local terms energy: -22.125559 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.441 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: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -39.576692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.576692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.576692 (E_RNA) where: Base-Base interactions energy: -17.261 where: short stacking energy: -17.261 Base-Backbone interact. energy: -0.002 local terms energy: -22.313293 where: bonds (distance) C4'-P energy: -3.556 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -32.449547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.449547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.449547 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.003 local terms energy: -22.364071 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.829 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: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -37.232110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.232110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.232110 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.000 local terms energy: -25.364726 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -28.175416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.175416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.175416 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -6.908 Base-Backbone interact. energy: -0.098 local terms energy: -20.316071 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -28.596916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.596916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.596916 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: 0.215 local terms energy: -21.896962 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.592 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: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -27.567953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.567953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.567953 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.100 local terms energy: -19.999999 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -39.554931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.554931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.554931 (E_RNA) where: Base-Base interactions energy: -16.491 where: short stacking energy: -16.491 Base-Backbone interact. energy: -0.005 local terms energy: -23.059001 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -39.276191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.276191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.276191 (E_RNA) where: Base-Base interactions energy: -13.606 where: short stacking energy: -13.606 Base-Backbone interact. energy: -0.000 local terms energy: -25.669717 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -5.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -41.351539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.351539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.351539 (E_RNA) where: Base-Base interactions energy: -12.598 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.001 local terms energy: -28.752669 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -41.558461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.558461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.558461 (E_RNA) where: Base-Base interactions energy: -17.810 where: short stacking energy: -17.810 Base-Backbone interact. energy: -0.009 local terms energy: -23.739237 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -32.584344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.584344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.584344 (E_RNA) where: Base-Base interactions energy: -10.983 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.001 local terms energy: -21.600414 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -4.621 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: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -40.840469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.840469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.840469 (E_RNA) where: Base-Base interactions energy: -16.537 where: short stacking energy: -16.537 Base-Backbone interact. energy: -0.000 local terms energy: -24.303473 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -34.125647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.125647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.125647 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -12.100 Base-Backbone interact. energy: -0.002 local terms energy: -22.023421 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -2.482 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: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -28.610943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.610943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.610943 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -5.538 Base-Backbone interact. energy: -0.000 local terms energy: -22.041260 where: bonds (distance) C4'-P energy: -3.149 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.927 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: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -28.279529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.279529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.279529 (E_RNA) where: Base-Base interactions energy: -8.403 where: short stacking energy: -8.403 Base-Backbone interact. energy: -0.081 local terms energy: -19.795540 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -2.937 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: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -31.556619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.556619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.556619 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: -0.016 local terms energy: -22.135859 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -1.994 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -37.391372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.391372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.391372 (E_RNA) where: Base-Base interactions energy: -13.672 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.004 local terms energy: -23.715814 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -39.566564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.566564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.566564 (E_RNA) where: Base-Base interactions energy: -16.459 where: short stacking energy: -16.459 Base-Backbone interact. energy: -0.000 local terms energy: -23.107713 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -41.590338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590338 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -17.677 Base-Backbone interact. energy: -0.004 local terms energy: -23.908618 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -33.780363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.780363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.780363 (E_RNA) where: Base-Base interactions energy: -13.185 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.000 local terms energy: -20.595436 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -1.672 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: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -37.694102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.694102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.694102 (E_RNA) where: Base-Base interactions energy: -13.152 where: short stacking energy: -13.152 Base-Backbone interact. energy: -0.000 local terms energy: -24.541697 where: bonds (distance) C4'-P energy: -2.657 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -33.739960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.739960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.739960 (E_RNA) where: Base-Base interactions energy: -10.985 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.000 local terms energy: -22.754767 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -1.869 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -34.424918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.424918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.424918 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -12.087 Base-Backbone interact. energy: 2.828 local terms energy: -25.682062 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -30.055839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.055839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.055839 (E_RNA) where: Base-Base interactions energy: -10.076 where: short stacking energy: -10.076 Base-Backbone interact. energy: -0.006 local terms energy: -19.974288 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: 1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -27.412718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.412718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.412718 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.010 local terms energy: -14.708899 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -0.042 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: 10, replica: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -27.824994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.824994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.824994 (E_RNA) where: Base-Base interactions energy: -5.579 where: short stacking energy: -5.579 Base-Backbone interact. energy: -0.016 local terms energy: -22.230026 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -40.911126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.911126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.911126 (E_RNA) where: Base-Base interactions energy: -16.887 where: short stacking energy: -16.887 Base-Backbone interact. energy: -0.001 local terms energy: -24.023885 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -5.125 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: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -39.430020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.430020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.430020 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.077 local terms energy: -25.654601 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -37.332675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.332675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.332675 (E_RNA) where: Base-Base interactions energy: -14.604 where: short stacking energy: -13.198 Base-Backbone interact. energy: -0.091 local terms energy: -22.637839 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -32.439703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.439703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.439703 (E_RNA) where: Base-Base interactions energy: -11.439 where: short stacking energy: -11.439 Base-Backbone interact. energy: -0.001 local terms energy: -20.999639 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.360 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: 5, replica: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -33.368513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.368513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.368513 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -12.418 Base-Backbone interact. energy: -0.001 local terms energy: -20.950222 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -1.947 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -32.279765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.279765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.279765 (E_RNA) where: Base-Base interactions energy: -9.675 where: short stacking energy: -9.675 Base-Backbone interact. energy: -0.073 local terms energy: -22.532051 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -34.246549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.246549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.246549 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.000 local terms energy: -22.455515 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -34.626137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.626137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.626137 (E_RNA) where: Base-Base interactions energy: -11.039 where: short stacking energy: -11.039 Base-Backbone interact. energy: -0.003 local terms energy: -23.583755 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -32.092648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.092648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.092648 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.001 local terms energy: -21.593351 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -29.651935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.651935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.651935 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.006 local terms energy: -20.942191 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -40.115666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.115666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.115666 (E_RNA) where: Base-Base interactions energy: -15.477 where: short stacking energy: -15.477 Base-Backbone interact. energy: -0.002 local terms energy: -24.636320 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -31.180951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.180951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.180951 (E_RNA) where: Base-Base interactions energy: -9.586 where: short stacking energy: -9.586 Base-Backbone interact. energy: -0.016 local terms energy: -21.578965 where: bonds (distance) C4'-P energy: -2.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.625 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: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -39.997907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.997907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.997907 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.000 local terms energy: -26.273260 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -32.423415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.423415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.423415 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.000 local terms energy: -22.003145 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -38.494923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.494923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.494923 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.001 local terms energy: -24.476471 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -36.348667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.348667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.348667 (E_RNA) where: Base-Base interactions energy: -11.818 where: short stacking energy: -11.818 Base-Backbone interact. energy: -0.031 local terms energy: -24.499171 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.175 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.907 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: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -36.189974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.189974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.189974 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.000 local terms energy: -24.179841 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -31.127832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.127832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.127832 (E_RNA) where: Base-Base interactions energy: -10.686 where: short stacking energy: -10.686 Base-Backbone interact. energy: -0.045 local terms energy: -20.396762 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.509 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: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -29.347604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.347604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.347604 (E_RNA) where: Base-Base interactions energy: -11.267 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.236 local terms energy: -17.845076 where: bonds (distance) C4'-P energy: -1.142 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -30.066858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.066858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.066858 (E_RNA) where: Base-Base interactions energy: -9.861 where: short stacking energy: -9.861 Base-Backbone interact. energy: -0.000 local terms energy: -20.205910 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.199 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: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -40.912707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.912707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.912707 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -13.254 Base-Backbone interact. energy: -0.035 local terms energy: -27.623405 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -42.924709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.924709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.924709 (E_RNA) where: Base-Base interactions energy: -15.604 where: short stacking energy: -15.604 Base-Backbone interact. energy: -0.000 local terms energy: -27.320777 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -40.886758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.886758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.886758 (E_RNA) where: Base-Base interactions energy: -18.070 where: short stacking energy: -18.070 Base-Backbone interact. energy: -0.070 local terms energy: -22.746743 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -33.920291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.920291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.920291 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.007 local terms energy: -19.777457 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.710 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: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -34.193540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.193540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.193540 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.004 local terms energy: -21.817906 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.077 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: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -32.249716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.249716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.249716 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.081 local terms energy: -25.047126 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -31.355400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.355400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.355400 (E_RNA) where: Base-Base interactions energy: -9.010 where: short stacking energy: -9.010 Base-Backbone interact. energy: -0.088 local terms energy: -22.257302 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -33.336611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.336611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.336611 (E_RNA) where: Base-Base interactions energy: -9.126 where: short stacking energy: -9.126 Base-Backbone interact. energy: -0.000 local terms energy: -24.210320 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -30.074175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.074175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.074175 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.017 local terms energy: -18.970634 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -30.557956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.557956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.557956 (E_RNA) where: Base-Base interactions energy: -10.705 where: short stacking energy: -10.705 Base-Backbone interact. energy: -0.000 local terms energy: -19.852820 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -41.705028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.705028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.705028 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.000 local terms energy: -26.987520 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -5.600 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: 2, replica: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -40.865396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.865396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.865396 (E_RNA) where: Base-Base interactions energy: -15.551 where: short stacking energy: -15.551 Base-Backbone interact. energy: -0.100 local terms energy: -25.214182 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -35.335512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.335512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.335512 (E_RNA) where: Base-Base interactions energy: -15.036 where: short stacking energy: -12.887 Base-Backbone interact. energy: -0.036 local terms energy: -20.264265 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -39.287484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.287484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.287484 (E_RNA) where: Base-Base interactions energy: -14.621 where: short stacking energy: -14.621 Base-Backbone interact. energy: -0.000 local terms energy: -24.666328 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -36.425425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.425425 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.012 local terms energy: -23.765113 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -4.424 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: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -32.118479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.118479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.118479 (E_RNA) where: Base-Base interactions energy: -10.810 where: short stacking energy: -10.810 Base-Backbone interact. energy: -0.000 local terms energy: -21.308050 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.213 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: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -29.993641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.993641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.993641 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.054 local terms energy: -20.949251 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -29.654431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.654431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.654431 (E_RNA) where: Base-Base interactions energy: -8.266 where: short stacking energy: -8.266 Base-Backbone interact. energy: -0.093 local terms energy: -21.295285 where: bonds (distance) C4'-P energy: -3.386 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -30.907193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.907193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.907193 (E_RNA) where: Base-Base interactions energy: -8.669 where: short stacking energy: -8.669 Base-Backbone interact. energy: -0.021 local terms energy: -22.216683 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.730 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -31.012814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.012814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.012814 (E_RNA) where: Base-Base interactions energy: -12.129 where: short stacking energy: -12.129 Base-Backbone interact. energy: -0.006 local terms energy: -18.877567 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -3.356 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: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -36.647264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.647264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.647264 (E_RNA) where: Base-Base interactions energy: -13.507 where: short stacking energy: -13.507 Base-Backbone interact. energy: -0.000 local terms energy: -23.140700 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: 0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -36.220283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.220283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.220283 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.062 local terms energy: -25.367980 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -36.394794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.394794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.394794 (E_RNA) where: Base-Base interactions energy: -11.681 where: short stacking energy: -11.681 Base-Backbone interact. energy: -0.038 local terms energy: -24.675925 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -37.969496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.969496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.969496 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.014 local terms energy: -25.754608 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -5.387 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -40.394780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394780 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.000 local terms energy: -25.510185 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -5.441 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: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -31.499106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.499106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.499106 (E_RNA) where: Base-Base interactions energy: -9.499 where: short stacking energy: -9.499 Base-Backbone interact. energy: -0.044 local terms energy: -21.955970 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -5.460 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: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -30.886071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.886071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.886071 (E_RNA) where: Base-Base interactions energy: -7.133 where: short stacking energy: -7.133 Base-Backbone interact. energy: -0.107 local terms energy: -23.646533 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.528 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: 8, replica: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -31.010284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.010284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.010284 (E_RNA) where: Base-Base interactions energy: -11.309 where: short stacking energy: -11.309 Base-Backbone interact. energy: -0.021 local terms energy: -19.680001 where: bonds (distance) C4'-P energy: -4.876 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -31.271700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271700 (E_RNA) where: Base-Base interactions energy: -9.050 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.023 local terms energy: -22.198993 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -5.012 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: 10, replica: 6 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -31.326469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.326469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.326469 (E_RNA) where: Base-Base interactions energy: -7.932 where: short stacking energy: -7.932 Base-Backbone interact. energy: -0.048 local terms energy: -23.346758 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -35.598435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598435 (E_RNA) where: Base-Base interactions energy: -14.562 where: short stacking energy: -14.562 Base-Backbone interact. energy: -0.002 local terms energy: -21.033740 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -2.845 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: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -39.821978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.821978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.821978 (E_RNA) where: Base-Base interactions energy: -14.576 where: short stacking energy: -14.576 Base-Backbone interact. energy: -0.000 local terms energy: -25.245423 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -6.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -40.334920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334920 (E_RNA) where: Base-Base interactions energy: -16.662 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.000 local terms energy: -23.672988 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -32.320141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.320141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.320141 (E_RNA) where: Base-Base interactions energy: -9.603 where: short stacking energy: -9.603 Base-Backbone interact. energy: -0.001 local terms energy: -22.715610 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -35.429669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.429669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.429669 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.000 local terms energy: -21.378503 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -3.064 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: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -35.785739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.785739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.785739 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.004 local terms energy: -26.946472 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -30.638659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.638659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.638659 (E_RNA) where: Base-Base interactions energy: -13.655 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.048 local terms energy: -16.935696 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -32.113796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.113796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.113796 (E_RNA) where: Base-Base interactions energy: -8.769 where: short stacking energy: -8.769 Base-Backbone interact. energy: -0.152 local terms energy: -23.193205 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -38.910188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.910188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.910188 (E_RNA) where: Base-Base interactions energy: -13.063 where: short stacking energy: -13.063 Base-Backbone interact. energy: -0.000 local terms energy: -25.846859 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -30.384023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.384023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.384023 (E_RNA) where: Base-Base interactions energy: -8.374 where: short stacking energy: -8.374 Base-Backbone interact. energy: -0.094 local terms energy: -21.916545 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -4.602 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: 1, replica: 4 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -42.406838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406838 (E_RNA) where: Base-Base interactions energy: -15.011 where: short stacking energy: -15.011 Base-Backbone interact. energy: -0.000 local terms energy: -27.395914 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -38.751660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.751660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.751660 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.000 local terms energy: -26.179120 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -37.898924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.898924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.898924 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.080 local terms energy: -23.933897 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.352 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: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -36.110449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.110449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.110449 (E_RNA) where: Base-Base interactions energy: -15.393 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.008 local terms energy: -20.709584 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -3.613 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -32.963341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.963341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.963341 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.000 local terms energy: -23.698051 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -34.286432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.286432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.286432 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.000 local terms energy: -24.750888 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -32.538273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538273 (E_RNA) where: Base-Base interactions energy: -9.351 where: short stacking energy: -9.351 Base-Backbone interact. energy: -0.015 local terms energy: -23.172880 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.363 flat angles P-C4'-P energy: -4.750 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: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -38.657892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.657892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.657892 (E_RNA) where: Base-Base interactions energy: -13.281 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.000 local terms energy: -25.376339 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -33.498259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.498259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.498259 (E_RNA) where: Base-Base interactions energy: -12.503 where: short stacking energy: -12.503 Base-Backbone interact. energy: -0.148 local terms energy: -20.847345 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -28.865101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.865101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.865101 (E_RNA) where: Base-Base interactions energy: -7.661 where: short stacking energy: -7.661 Base-Backbone interact. energy: -0.032 local terms energy: -21.172703 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -1.632 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: 4 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -43.801291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.801291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.801291 (E_RNA) where: Base-Base interactions energy: -16.246 where: short stacking energy: -16.246 Base-Backbone interact. energy: -0.053 local terms energy: -27.501570 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -42.280439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.280439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.280439 (E_RNA) where: Base-Base interactions energy: -18.029 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.000 local terms energy: -24.251057 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -37.242156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.242156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.242156 (E_RNA) where: Base-Base interactions energy: -14.018 where: short stacking energy: -14.018 Base-Backbone interact. energy: -0.000 local terms energy: -23.224207 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -31.998245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.998245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.998245 (E_RNA) where: Base-Base interactions energy: -11.169 where: short stacking energy: -9.816 Base-Backbone interact. energy: -0.063 local terms energy: -20.766626 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.266 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: 5, replica: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -36.933798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933798 (E_RNA) where: Base-Base interactions energy: -15.346 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.000 local terms energy: -21.587895 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -2.049 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -31.254900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.254900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.254900 (E_RNA) where: Base-Base interactions energy: -10.073 where: short stacking energy: -10.073 Base-Backbone interact. energy: -0.001 local terms energy: -21.180973 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -37.406139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.406139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.406139 (E_RNA) where: Base-Base interactions energy: -15.593 where: short stacking energy: -15.593 Base-Backbone interact. energy: -0.003 local terms energy: -21.810177 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -2.836 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -30.329547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.329547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.329547 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: 0.904 local terms energy: -22.627786 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -27.974604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.974604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.974604 (E_RNA) where: Base-Base interactions energy: -8.698 where: short stacking energy: -8.698 Base-Backbone interact. energy: -1.046 local terms energy: -18.230718 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.937 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: 10, replica: 6 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -27.739053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.739053 (E_RNA) where: Base-Base interactions energy: -9.561 where: short stacking energy: -9.561 Base-Backbone interact. energy: -0.045 local terms energy: -18.133054 where: bonds (distance) C4'-P energy: -1.933 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -2.358 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: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -39.416732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.416732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.416732 (E_RNA) where: Base-Base interactions energy: -15.356 where: short stacking energy: -15.356 Base-Backbone interact. energy: -0.000 local terms energy: -24.060501 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -39.944755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.944755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.944755 (E_RNA) where: Base-Base interactions energy: -15.526 where: short stacking energy: -15.526 Base-Backbone interact. energy: -0.016 local terms energy: -24.402324 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -35.583135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.583135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.583135 (E_RNA) where: Base-Base interactions energy: -11.664 where: short stacking energy: -11.664 Base-Backbone interact. energy: -0.001 local terms energy: -23.917844 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -38.932841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.932841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.932841 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.000 local terms energy: -26.341077 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -34.461220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.461220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.461220 (E_RNA) where: Base-Base interactions energy: -11.305 where: short stacking energy: -11.305 Base-Backbone interact. energy: -0.000 local terms energy: -23.155896 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -31.734807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.734807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.734807 (E_RNA) where: Base-Base interactions energy: -11.918 where: short stacking energy: -11.918 Base-Backbone interact. energy: -0.018 local terms energy: -19.798099 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -29.538040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.538040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.538040 (E_RNA) where: Base-Base interactions energy: -9.485 where: short stacking energy: -9.485 Base-Backbone interact. energy: -0.096 local terms energy: -19.957205 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -33.343564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.343564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.343564 (E_RNA) where: Base-Base interactions energy: -11.389 where: short stacking energy: -11.389 Base-Backbone interact. energy: -0.000 local terms energy: -21.954348 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.914 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -28.338853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.338853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.338853 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: -5.795 Base-Backbone interact. energy: -0.002 local terms energy: -22.542357 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -5.162 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: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -30.931779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.931779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.931779 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.000 local terms energy: -20.578500 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -38.208717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.208717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.208717 (E_RNA) where: Base-Base interactions energy: -14.482 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.002 local terms energy: -23.725471 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -38.562438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.562438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.562438 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.007 local terms energy: -25.132686 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -40.306075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.306075 (E_RNA) where: Base-Base interactions energy: -14.316 where: short stacking energy: -14.316 Base-Backbone interact. energy: -0.001 local terms energy: -25.989455 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -5.781 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: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -42.359468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.359468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.359468 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: 1.085 local terms energy: -25.388228 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -32.879824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.879824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.879824 (E_RNA) where: Base-Base interactions energy: -8.873 where: short stacking energy: -8.873 Base-Backbone interact. energy: -0.006 local terms energy: -24.001243 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -33.728647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.728647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.728647 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.000 local terms energy: -21.586398 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.229 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: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -34.283459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.283459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.283459 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.057 local terms energy: -23.990987 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -30.142750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.142750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.142750 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.000 local terms energy: -17.151449 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.269 flat angles P-C4'-P energy: -3.077 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: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -29.445147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.445147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.445147 (E_RNA) where: Base-Base interactions energy: -9.128 where: short stacking energy: -9.775 Base-Backbone interact. energy: -0.014 local terms energy: -20.303801 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.240 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: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -23.656626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.656626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.656626 (E_RNA) where: Base-Base interactions energy: -5.217 where: short stacking energy: -5.217 Base-Backbone interact. energy: -0.101 local terms energy: -18.338791 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.971 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: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -38.981553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.981553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.981553 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.000 local terms energy: -24.922089 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.074 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: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -37.618842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.618842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.618842 (E_RNA) where: Base-Base interactions energy: -15.273 where: short stacking energy: -15.273 Base-Backbone interact. energy: -0.004 local terms energy: -22.342408 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -36.551772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.551772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.551772 (E_RNA) where: Base-Base interactions energy: -16.304 where: short stacking energy: -16.304 Base-Backbone interact. energy: -0.003 local terms energy: -20.245332 where: bonds (distance) C4'-P energy: -2.384 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -39.656057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.656057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.656057 (E_RNA) where: Base-Base interactions energy: -15.022 where: short stacking energy: -15.022 Base-Backbone interact. energy: -0.029 local terms energy: -24.605171 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -34.620228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.620228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.620228 (E_RNA) where: Base-Base interactions energy: -13.712 where: short stacking energy: -13.712 Base-Backbone interact. energy: -0.001 local terms energy: -20.907281 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -2.420 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -31.560796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.560796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.560796 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.000 local terms energy: -19.550369 where: bonds (distance) C4'-P energy: -3.999 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -1.104 tors. eta vs tors. theta energy: -4.973 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: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -28.272546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.272546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.272546 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.126 local terms energy: -18.335249 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.516 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: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -30.067514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.067514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.067514 (E_RNA) where: Base-Base interactions energy: -7.152 where: short stacking energy: -7.152 Base-Backbone interact. energy: -0.098 local terms energy: -22.817803 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -34.867491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867491 (E_RNA) where: Base-Base interactions energy: -9.836 where: short stacking energy: -9.836 Base-Backbone interact. energy: -0.011 local terms energy: -25.020992 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -27.400556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.400556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.400556 (E_RNA) where: Base-Base interactions energy: -9.586 where: short stacking energy: -9.586 Base-Backbone interact. energy: -0.044 local terms energy: -17.770593 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.335 flat angles P-C4'-P energy: -2.228 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: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -38.064666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.064666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.064666 (E_RNA) where: Base-Base interactions energy: -15.311 where: short stacking energy: -15.311 Base-Backbone interact. energy: -0.000 local terms energy: -22.753309 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -3.407 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: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -34.896435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.896435 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.003 local terms energy: -20.839150 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -2.779 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: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -37.807945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.807945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.807945 (E_RNA) where: Base-Base interactions energy: -14.559 where: short stacking energy: -14.559 Base-Backbone interact. energy: -0.002 local terms energy: -23.247043 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.144 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: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -35.601801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.601801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.601801 (E_RNA) where: Base-Base interactions energy: -13.588 where: short stacking energy: -13.588 Base-Backbone interact. energy: -0.001 local terms energy: -22.012596 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -30.831456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.831456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.831456 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.001 local terms energy: -22.875870 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.788 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: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -31.562802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562802 (E_RNA) where: Base-Base interactions energy: -12.284 where: short stacking energy: -12.284 Base-Backbone interact. energy: -0.001 local terms energy: -19.278181 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: 1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -32.080574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.080574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.080574 (E_RNA) where: Base-Base interactions energy: -14.339 where: short stacking energy: -14.339 Base-Backbone interact. energy: -0.012 local terms energy: -17.729645 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -0.735 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -32.925998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.925998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.925998 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.002 local terms energy: -19.597345 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -26.356397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.356397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.356397 (E_RNA) where: Base-Base interactions energy: -5.386 where: short stacking energy: -5.386 Base-Backbone interact. energy: -0.000 local terms energy: -20.969924 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.042 flat angles P-C4'-P energy: -4.347 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: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -32.020638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.020638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.020638 (E_RNA) where: Base-Base interactions energy: -10.714 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.128 local terms energy: -21.178526 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -36.757496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.757496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.757496 (E_RNA) where: Base-Base interactions energy: -9.384 where: short stacking energy: -9.384 Base-Backbone interact. energy: -0.000 local terms energy: -27.373746 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -34.793284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.793284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.793284 (E_RNA) where: Base-Base interactions energy: -13.165 where: short stacking energy: -13.165 Base-Backbone interact. energy: -0.332 local terms energy: -21.296193 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.815 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: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -38.275528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.275528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.275528 (E_RNA) where: Base-Base interactions energy: -14.094 where: short stacking energy: -14.094 Base-Backbone interact. energy: -0.008 local terms energy: -24.174205 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -36.745166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.745166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.745166 (E_RNA) where: Base-Base interactions energy: -14.180 where: short stacking energy: -14.180 Base-Backbone interact. energy: -0.006 local terms energy: -22.558319 where: bonds (distance) C4'-P energy: -2.243 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.559 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: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -31.863073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.863073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.863073 (E_RNA) where: Base-Base interactions energy: -6.021 where: short stacking energy: -6.021 Base-Backbone interact. energy: -0.000 local terms energy: -25.841533 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.909 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: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -36.514131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.514131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.514131 (E_RNA) where: Base-Base interactions energy: -15.359 where: short stacking energy: -15.359 Base-Backbone interact. energy: -0.000 local terms energy: -21.154677 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -5.589 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: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -33.361090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.361090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.361090 (E_RNA) where: Base-Base interactions energy: -15.234 where: short stacking energy: -15.234 Base-Backbone interact. energy: -0.000 local terms energy: -18.127049 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: 0.100 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -33.166260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.166260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.166260 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.079 local terms energy: -22.939418 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -34.245347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.245347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.245347 (E_RNA) where: Base-Base interactions energy: -14.030 where: short stacking energy: -14.030 Base-Backbone interact. energy: -0.000 local terms energy: -20.215395 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.529 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: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -32.667011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.667011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.667011 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.044 local terms energy: -22.276510 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -38.839569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.839569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.839569 (E_RNA) where: Base-Base interactions energy: -13.642 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.000 local terms energy: -25.197445 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -39.887742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.887742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.887742 (E_RNA) where: Base-Base interactions energy: -14.104 where: short stacking energy: -14.104 Base-Backbone interact. energy: -0.046 local terms energy: -25.737900 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -34.466478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.466478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.466478 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.000 local terms energy: -22.757143 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -1.769 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -34.361115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.361115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.361115 (E_RNA) where: Base-Base interactions energy: -14.288 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.048 local terms energy: -20.024837 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -4.690 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: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -34.493895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.493895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.493895 (E_RNA) where: Base-Base interactions energy: -12.357 where: short stacking energy: -12.357 Base-Backbone interact. energy: -0.000 local terms energy: -22.136811 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -33.907593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.907593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.907593 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.001 local terms energy: -25.632417 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -30.934177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.934177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.934177 (E_RNA) where: Base-Base interactions energy: -9.301 where: short stacking energy: -9.301 Base-Backbone interact. energy: 0.922 local terms energy: -22.555161 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -4.828 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: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -32.939451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939451 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -14.340 Base-Backbone interact. energy: -0.103 local terms energy: -18.497344 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -3.574 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: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -28.729165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.729165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.729165 (E_RNA) where: Base-Base interactions energy: -13.891 where: short stacking energy: -13.891 Base-Backbone interact. energy: -0.007 local terms energy: -14.830394 where: bonds (distance) C4'-P energy: -2.061 bonds (distance) P-C4' energy: -4.269 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -2.349 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: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -29.655487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.655487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.655487 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.058 local terms energy: -17.399872 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -45.199945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.199945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.199945 (E_RNA) where: Base-Base interactions energy: -17.897 where: short stacking energy: -17.897 Base-Backbone interact. energy: -0.000 local terms energy: -27.302779 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -5.929 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -36.601265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.601265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.601265 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.835 local terms energy: -21.010443 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -4.081 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.842 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: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -36.118448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.118448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.118448 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.111 local terms energy: -23.346166 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -37.596885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.596885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.596885 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.118 Base-Backbone interact. energy: -0.012 local terms energy: -24.467428 where: bonds (distance) C4'-P energy: -3.527 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -34.995814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.995814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.995814 (E_RNA) where: Base-Base interactions energy: -10.724 where: short stacking energy: -10.724 Base-Backbone interact. energy: -0.082 local terms energy: -24.189985 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -35.989070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.989070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.989070 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.000 local terms energy: -25.323757 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -27.841214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.841214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.841214 (E_RNA) where: Base-Base interactions energy: -5.085 where: short stacking energy: -5.085 Base-Backbone interact. energy: -0.092 local terms energy: -22.664684 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -4.627 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: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -30.662961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.662961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.662961 (E_RNA) where: Base-Base interactions energy: -9.661 where: short stacking energy: -9.661 Base-Backbone interact. energy: -0.133 local terms energy: -20.868230 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -3.941 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -29.476696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.476696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.476696 (E_RNA) where: Base-Base interactions energy: -9.327 where: short stacking energy: -9.327 Base-Backbone interact. energy: -0.116 local terms energy: -20.033941 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.573 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: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -32.120141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.120141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.120141 (E_RNA) where: Base-Base interactions energy: -8.226 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.068 local terms energy: -23.826547 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -43.720932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.720932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.720932 (E_RNA) where: Base-Base interactions energy: -15.141 where: short stacking energy: -15.141 Base-Backbone interact. energy: -0.000 local terms energy: -28.579812 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -41.554779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.554779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.554779 (E_RNA) where: Base-Base interactions energy: -15.324 where: short stacking energy: -15.700 Base-Backbone interact. energy: -0.000 local terms energy: -26.230887 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -33.584556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.584556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.584556 (E_RNA) where: Base-Base interactions energy: -10.265 where: short stacking energy: -10.265 Base-Backbone interact. energy: -0.022 local terms energy: -23.297260 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -3.470 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: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -38.740282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.740282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.740282 (E_RNA) where: Base-Base interactions energy: -17.728 where: short stacking energy: -17.728 Base-Backbone interact. energy: -0.022 local terms energy: -20.989664 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -34.204902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.204902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.204902 (E_RNA) where: Base-Base interactions energy: -12.858 where: short stacking energy: -12.858 Base-Backbone interact. energy: -0.024 local terms energy: -21.322198 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -31.270239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.270239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.270239 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.009 local terms energy: -21.003759 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -31.663013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.663013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.663013 (E_RNA) where: Base-Base interactions energy: -8.654 where: short stacking energy: -8.654 Base-Backbone interact. energy: -0.007 local terms energy: -23.001965 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: 1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -31.563481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.563481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.563481 (E_RNA) where: Base-Base interactions energy: -10.267 where: short stacking energy: -10.267 Base-Backbone interact. energy: -0.747 local terms energy: -20.549428 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.409 flat angles P-C4'-P energy: -2.271 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: 9, replica: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -29.533595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.533595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.533595 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.002 local terms energy: -16.715522 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -2.811 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.333 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: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -29.043457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.043457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.043457 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.119 local terms energy: -20.156750 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -3.682 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: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -42.786757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.786757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.786757 (E_RNA) where: Base-Base interactions energy: -17.987 where: short stacking energy: -17.987 Base-Backbone interact. energy: -0.001 local terms energy: -24.799514 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -40.136545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.136545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.136545 (E_RNA) where: Base-Base interactions energy: -17.534 where: short stacking energy: -17.534 Base-Backbone interact. energy: -0.000 local terms energy: -22.602632 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: 0.962 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -37.018739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.018739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.018739 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.144 local terms energy: -21.952807 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.254 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: 4, replica: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -37.502315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.502315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.502315 (E_RNA) where: Base-Base interactions energy: -13.768 where: short stacking energy: -13.768 Base-Backbone interact. energy: -0.000 local terms energy: -23.734573 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -31.942380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.942380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.942380 (E_RNA) where: Base-Base interactions energy: -12.273 where: short stacking energy: -12.273 Base-Backbone interact. energy: -0.000 local terms energy: -19.669525 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.542 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: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -33.838659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.838659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.838659 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.489 local terms energy: -20.160752 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: 0.151 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -31.292066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292066 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.000 local terms energy: -22.588521 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -30.532740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.532740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.532740 (E_RNA) where: Base-Base interactions energy: -9.202 where: short stacking energy: -9.202 Base-Backbone interact. energy: -0.000 local terms energy: -21.330294 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -30.972107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.972107 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.011 local terms energy: -22.003249 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -33.373082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.373082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.373082 (E_RNA) where: Base-Base interactions energy: -13.409 where: short stacking energy: -13.409 Base-Backbone interact. energy: -0.004 local terms energy: -19.959922 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -38.904834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.904834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.904834 (E_RNA) where: Base-Base interactions energy: -14.856 where: short stacking energy: -14.856 Base-Backbone interact. energy: -0.003 local terms energy: -24.045780 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -41.421383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.421383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.421383 (E_RNA) where: Base-Base interactions energy: -17.204 where: short stacking energy: -17.204 Base-Backbone interact. energy: -0.000 local terms energy: -24.216931 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -3.697 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: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -38.524412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.524412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.524412 (E_RNA) where: Base-Base interactions energy: -13.658 where: short stacking energy: -13.658 Base-Backbone interact. energy: -0.002 local terms energy: -24.864843 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -37.249388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.249388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.249388 (E_RNA) where: Base-Base interactions energy: -14.902 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.005 local terms energy: -22.342064 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -33.596849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.596849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.596849 (E_RNA) where: Base-Base interactions energy: -10.165 where: short stacking energy: -10.165 Base-Backbone interact. energy: -0.099 local terms energy: -23.333545 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -31.930767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.930767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.930767 (E_RNA) where: Base-Base interactions energy: -9.373 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.000 local terms energy: -22.557547 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -35.017271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.017271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.017271 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.042 local terms energy: -20.864617 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -33.410262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410262 (E_RNA) where: Base-Base interactions energy: -12.990 where: short stacking energy: -12.990 Base-Backbone interact. energy: -0.000 local terms energy: -20.419796 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -3.883 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -34.690811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.690811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.690811 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.000 local terms energy: -24.342886 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -5.636 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: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -29.780359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.780359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.780359 (E_RNA) where: Base-Base interactions energy: -10.364 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.001 local terms energy: -19.415265 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.465 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: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -34.684621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.684621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.684621 (E_RNA) where: Base-Base interactions energy: -9.178 where: short stacking energy: -9.178 Base-Backbone interact. energy: -0.123 local terms energy: -25.383118 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -4.292 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: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -32.106029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106029 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.044 local terms energy: -21.780803 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.527 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: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -35.326691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.326691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.326691 (E_RNA) where: Base-Base interactions energy: -14.252 where: short stacking energy: -14.252 Base-Backbone interact. energy: -0.044 local terms energy: -21.030630 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -33.886594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.886594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.886594 (E_RNA) where: Base-Base interactions energy: -12.879 where: short stacking energy: -12.879 Base-Backbone interact. energy: 0.059 local terms energy: -21.066921 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.335 flat angles P-C4'-P energy: -2.341 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -37.686665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.686665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.686665 (E_RNA) where: Base-Base interactions energy: -17.436 where: short stacking energy: -17.436 Base-Backbone interact. energy: -0.031 local terms energy: -20.219579 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -34.996208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.996208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.996208 (E_RNA) where: Base-Base interactions energy: -9.394 where: short stacking energy: -9.594 Base-Backbone interact. energy: -0.049 local terms energy: -25.553258 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -35.837984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.837984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.837984 (E_RNA) where: Base-Base interactions energy: -13.273 where: short stacking energy: -13.273 Base-Backbone interact. energy: -0.019 local terms energy: -22.545732 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.970 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: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -28.013861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.013861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.013861 (E_RNA) where: Base-Base interactions energy: -9.613 where: short stacking energy: -9.613 Base-Backbone interact. energy: -0.007 local terms energy: -18.394186 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.495 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: 9, replica: 4 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -26.090200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.090200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.090200 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.000 local terms energy: -17.791605 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: 1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -28.177221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.177221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.177221 (E_RNA) where: Base-Base interactions energy: -7.664 where: short stacking energy: -7.664 Base-Backbone interact. energy: -0.052 local terms energy: -20.461719 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -39.752464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.752464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.752464 (E_RNA) where: Base-Base interactions energy: -14.290 where: short stacking energy: -14.290 Base-Backbone interact. energy: -0.006 local terms energy: -25.456478 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.200 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: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -34.491063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491063 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.029 local terms energy: -24.370381 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -36.003901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.003901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.003901 (E_RNA) where: Base-Base interactions energy: -10.783 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.004 local terms energy: -25.216939 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -34.669667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.669667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.669667 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -12.339 Base-Backbone interact. energy: -0.000 local terms energy: -22.331043 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.928 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: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -33.653942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.653942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.653942 (E_RNA) where: Base-Base interactions energy: -12.297 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.035 local terms energy: -21.322001 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.957 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -4.096 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: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -30.072938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.072938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.072938 (E_RNA) where: Base-Base interactions energy: -9.356 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.006 local terms energy: -20.711455 where: bonds (distance) C4'-P energy: -3.803 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -31.034240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.034240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.034240 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.000 local terms energy: -20.234829 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -2.388 flat angles P-C4'-P energy: -3.544 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: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -30.998276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.998276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.998276 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: -8.307 Base-Backbone interact. energy: -0.008 local terms energy: -22.683181 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -29.889977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.889977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.889977 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.000 local terms energy: -16.645047 where: bonds (distance) C4'-P energy: -1.795 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.289 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: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -28.864225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.864225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.864225 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.384 local terms energy: -19.098692 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: 0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -39.633081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.633081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.633081 (E_RNA) where: Base-Base interactions energy: -14.177 where: short stacking energy: -14.177 Base-Backbone interact. energy: -0.004 local terms energy: -25.452584 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -41.160996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.160996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.160996 (E_RNA) where: Base-Base interactions energy: -17.202 where: short stacking energy: -17.202 Base-Backbone interact. energy: -0.001 local terms energy: -23.957941 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -3.951 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -4.359 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: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -36.071140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.071140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.071140 (E_RNA) where: Base-Base interactions energy: -16.688 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.000 local terms energy: -19.382766 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -1.256 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -37.247566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.247566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.247566 (E_RNA) where: Base-Base interactions energy: -10.746 where: short stacking energy: -10.746 Base-Backbone interact. energy: -0.067 local terms energy: -26.434446 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -37.492167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492167 (E_RNA) where: Base-Base interactions energy: -15.624 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.000 local terms energy: -21.868440 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.775 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -0.805 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -32.405333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.405333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.405333 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.611 local terms energy: -25.673019 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -33.925617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.925617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.925617 (E_RNA) where: Base-Base interactions energy: -14.568 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.045 local terms energy: -19.312758 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -3.718 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -1.154 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: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -30.694111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.694111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.694111 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.013 local terms energy: -22.403604 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -30.308358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.308358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.308358 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.001 local terms energy: -18.016637 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -3.828 flat angles C4'-P-C4' energy: -2.655 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -34.857336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.857336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.857336 (E_RNA) where: Base-Base interactions energy: -11.083 where: short stacking energy: -11.083 Base-Backbone interact. energy: -0.000 local terms energy: -23.773472 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -4.877 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: 1, replica: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -39.841146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.841146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.841146 (E_RNA) where: Base-Base interactions energy: -13.384 where: short stacking energy: -13.384 Base-Backbone interact. energy: -0.000 local terms energy: -26.456782 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -39.445053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.445053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.445053 (E_RNA) where: Base-Base interactions energy: -15.126 where: short stacking energy: -15.126 Base-Backbone interact. energy: -0.004 local terms energy: -24.315332 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -34.942858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.942858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.942858 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.002 local terms energy: -21.526057 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -35.290722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.290722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.290722 (E_RNA) where: Base-Base interactions energy: -14.283 where: short stacking energy: -14.283 Base-Backbone interact. energy: -0.034 local terms energy: -20.973004 where: bonds (distance) C4'-P energy: -2.099 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -5.052 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: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -33.949313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.949313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.949313 (E_RNA) where: Base-Base interactions energy: -13.516 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.315 local terms energy: -20.117631 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -36.726650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.726650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.726650 (E_RNA) where: Base-Base interactions energy: -14.018 where: short stacking energy: -14.018 Base-Backbone interact. energy: -0.002 local terms energy: -22.706056 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -32.172353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.172353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.172353 (E_RNA) where: Base-Base interactions energy: -14.325 where: short stacking energy: -14.325 Base-Backbone interact. energy: -0.000 local terms energy: -17.847639 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -1.118 flat angles P-C4'-P energy: -3.946 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: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -33.688915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.688915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.688915 (E_RNA) where: Base-Base interactions energy: -12.494 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.099 local terms energy: -21.095836 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -0.459 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: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -33.741671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.741671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.741671 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.024 local terms energy: -22.143426 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -28.908582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.908582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.908582 (E_RNA) where: Base-Base interactions energy: -10.278 where: short stacking energy: -10.360 Base-Backbone interact. energy: -0.010 local terms energy: -18.620816 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -1.922 flat angles P-C4'-P energy: -3.960 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: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -39.398825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.398825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.398825 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.376 Base-Backbone interact. energy: -0.405 local terms energy: -26.617680 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -5.382 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: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -39.465928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.465928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.465928 (E_RNA) where: Base-Base interactions energy: -15.160 where: short stacking energy: -15.160 Base-Backbone interact. energy: -0.000 local terms energy: -24.305391 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -46.250825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.250825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.250825 (E_RNA) where: Base-Base interactions energy: -17.875 where: short stacking energy: -17.875 Base-Backbone interact. energy: -0.000 local terms energy: -28.376111 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -32.920538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.920538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.920538 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.000 local terms energy: -21.833745 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -36.559263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.559263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.559263 (E_RNA) where: Base-Base interactions energy: -13.366 where: short stacking energy: -13.366 Base-Backbone interact. energy: -0.082 local terms energy: -23.111078 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -3.532 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: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -31.998341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.998341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.998341 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.034 local terms energy: -20.842505 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.508 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: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -26.838259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.838259 (E_RNA) where: Base-Base interactions energy: -8.387 where: short stacking energy: -8.387 Base-Backbone interact. energy: -0.050 local terms energy: -18.401834 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: 1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -31.985535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.985535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.985535 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.088 local terms energy: -21.924418 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -5.412 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: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -33.011792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.011792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.011792 (E_RNA) where: Base-Base interactions energy: -13.218 where: short stacking energy: -13.218 Base-Backbone interact. energy: -0.000 local terms energy: -19.793263 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -26.317459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.317459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.317459 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.031 local terms energy: -15.875220 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -0.512 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -37.896207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.896207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.896207 (E_RNA) where: Base-Base interactions energy: -13.814 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.000 local terms energy: -24.081409 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -35.663971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.663971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.663971 (E_RNA) where: Base-Base interactions energy: -14.342 where: short stacking energy: -14.342 Base-Backbone interact. energy: -0.098 local terms energy: -21.223549 where: bonds (distance) C4'-P energy: -1.700 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -41.892231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.892231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.892231 (E_RNA) where: Base-Base interactions energy: -18.284 where: short stacking energy: -18.284 Base-Backbone interact. energy: -0.015 local terms energy: -23.593171 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.418 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: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -37.077158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.077158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.077158 (E_RNA) where: Base-Base interactions energy: -14.778 where: short stacking energy: -14.778 Base-Backbone interact. energy: -0.019 local terms energy: -22.280201 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -2.428 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: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -34.941579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.941579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.941579 (E_RNA) where: Base-Base interactions energy: -12.412 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.009 local terms energy: -22.520506 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -2.153 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -38.539318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.539318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.539318 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.396 Base-Backbone interact. energy: -0.108 local terms energy: -24.278470 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -31.454547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.454547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.454547 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.136 local terms energy: -19.494321 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -5.902 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -3.122 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: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -32.546547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.546547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.546547 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -12.708 Base-Backbone interact. energy: -0.002 local terms energy: -19.836482 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -31.575305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575305 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.000 local terms energy: -20.368068 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -30.629613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.629613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.629613 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -8.189 Base-Backbone interact. energy: -0.017 local terms energy: -22.423318 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.992 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: 1, replica: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -36.155157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.155157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.155157 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.086 local terms energy: -22.475283 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.788 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: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -40.087961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.087961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.087961 (E_RNA) where: Base-Base interactions energy: -13.796 where: short stacking energy: -13.796 Base-Backbone interact. energy: -0.000 local terms energy: -26.291588 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -34.090005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.090005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.090005 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.079 local terms energy: -23.143177 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -33.487799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.487799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.487799 (E_RNA) where: Base-Base interactions energy: -10.312 where: short stacking energy: -10.312 Base-Backbone interact. energy: -0.125 local terms energy: -23.050503 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -34.774357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.774357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.774357 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.005 local terms energy: -22.907691 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.853 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: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -29.157361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157361 (E_RNA) where: Base-Base interactions energy: -10.027 where: short stacking energy: -10.027 Base-Backbone interact. energy: -0.002 local terms energy: -19.128474 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -2.922 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: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -29.598006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598006 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.062 local terms energy: -21.837717 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -31.831894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831894 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.000 local terms energy: -22.142610 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.232 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: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -28.197290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.197290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.197290 (E_RNA) where: Base-Base interactions energy: -4.923 where: short stacking energy: -4.923 Base-Backbone interact. energy: -0.003 local terms energy: -23.271269 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -5.477 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: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -29.945958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.945958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.945958 (E_RNA) where: Base-Base interactions energy: -8.171 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.007 local terms energy: -21.767902 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -38.201683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.201683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.201683 (E_RNA) where: Base-Base interactions energy: -13.880 where: short stacking energy: -13.880 Base-Backbone interact. energy: -0.000 local terms energy: -24.321284 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -39.441754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.441754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.441754 (E_RNA) where: Base-Base interactions energy: -15.076 where: short stacking energy: -15.076 Base-Backbone interact. energy: -0.095 local terms energy: -24.270539 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -41.142939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.142939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.142939 (E_RNA) where: Base-Base interactions energy: -16.170 where: short stacking energy: -16.170 Base-Backbone interact. energy: -0.008 local terms energy: -24.964210 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -36.787066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.787066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.787066 (E_RNA) where: Base-Base interactions energy: -14.057 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.000 local terms energy: -22.729651 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.509 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -35.232137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.232137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.232137 (E_RNA) where: Base-Base interactions energy: -11.200 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.001 local terms energy: -24.030265 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -32.810747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.810747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.810747 (E_RNA) where: Base-Base interactions energy: -9.709 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.032 local terms energy: -23.069817 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -31.137329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.137329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.137329 (E_RNA) where: Base-Base interactions energy: -9.371 where: short stacking energy: -9.371 Base-Backbone interact. energy: -0.000 local terms energy: -21.765590 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -2.512 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: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -30.747580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.747580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.747580 (E_RNA) where: Base-Base interactions energy: -13.283 where: short stacking energy: -13.283 Base-Backbone interact. energy: -0.589 local terms energy: -16.875526 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -4.509 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: 0.093 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -32.547039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.547039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.547039 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -11.559 Base-Backbone interact. energy: -0.002 local terms energy: -20.986015 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -3.938 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -31.408497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.408497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.408497 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.000 local terms energy: -20.311701 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -41.968638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.968638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.968638 (E_RNA) where: Base-Base interactions energy: -18.164 where: short stacking energy: -18.164 Base-Backbone interact. energy: -0.001 local terms energy: -23.803816 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -1.653 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -38.005955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005955 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.000 local terms energy: -28.275358 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -36.035623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.035623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.035623 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.000 local terms energy: -23.319587 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -5.098 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: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -30.029730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.029730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.029730 (E_RNA) where: Base-Base interactions energy: -8.786 where: short stacking energy: -8.786 Base-Backbone interact. energy: -0.003 local terms energy: -21.239938 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.886 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: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -33.091246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.091246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.091246 (E_RNA) where: Base-Base interactions energy: -8.441 where: short stacking energy: -8.441 Base-Backbone interact. energy: -0.000 local terms energy: -24.650589 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -32.708161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.708161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.708161 (E_RNA) where: Base-Base interactions energy: -8.555 where: short stacking energy: -8.555 Base-Backbone interact. energy: -0.000 local terms energy: -24.152842 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -33.443614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.443614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.443614 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.002 local terms energy: -23.333536 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -32.630209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630209 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.000 local terms energy: -23.517529 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -2.914 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: 9, replica: 4 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -26.075013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.075013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.075013 (E_RNA) where: Base-Base interactions energy: -6.384 where: short stacking energy: -6.384 Base-Backbone interact. energy: -0.074 local terms energy: -19.617539 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: 0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -34.330710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.330710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.330710 (E_RNA) where: Base-Base interactions energy: -9.681 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.000 local terms energy: -24.649369 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -38.429693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.429693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.429693 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.000 local terms energy: -22.362512 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -38.922089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.922089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.922089 (E_RNA) where: Base-Base interactions energy: -13.063 where: short stacking energy: -13.063 Base-Backbone interact. energy: -0.026 local terms energy: -25.832868 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -35.497242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.497242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.497242 (E_RNA) where: Base-Base interactions energy: -14.438 where: short stacking energy: -14.438 Base-Backbone interact. energy: -0.004 local terms energy: -21.055193 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -38.148987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.148987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.148987 (E_RNA) where: Base-Base interactions energy: -15.554 where: short stacking energy: -15.554 Base-Backbone interact. energy: -0.000 local terms energy: -22.594664 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.701 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -39.436223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.436223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.436223 (E_RNA) where: Base-Base interactions energy: -12.317 where: short stacking energy: -12.317 Base-Backbone interact. energy: -0.000 local terms energy: -27.119332 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -32.037751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037751 (E_RNA) where: Base-Base interactions energy: -9.821 where: short stacking energy: -9.821 Base-Backbone interact. energy: -0.038 local terms energy: -22.178818 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -31.364750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364750 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.000 local terms energy: -21.882663 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.298 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: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -27.849426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.849426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.849426 (E_RNA) where: Base-Base interactions energy: -10.123 where: short stacking energy: -10.123 Base-Backbone interact. energy: -0.002 local terms energy: -17.724272 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -2.170 flat angles P-C4'-P energy: -1.531 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: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -28.785381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.785381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.785381 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -6.823 Base-Backbone interact. energy: -0.001 local terms energy: -20.681733 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -30.249966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.249966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.249966 (E_RNA) where: Base-Base interactions energy: -12.123 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.157 local terms energy: -17.970026 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -3.775 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: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -41.970783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970783 (E_RNA) where: Base-Base interactions energy: -16.415 where: short stacking energy: -16.415 Base-Backbone interact. energy: -0.000 local terms energy: -25.555400 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.151 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: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -42.187026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.187026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.187026 (E_RNA) where: Base-Base interactions energy: -15.056 where: short stacking energy: -15.056 Base-Backbone interact. energy: -0.000 local terms energy: -27.131012 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -40.844634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.844634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.844634 (E_RNA) where: Base-Base interactions energy: -13.602 where: short stacking energy: -13.602 Base-Backbone interact. energy: -0.000 local terms energy: -27.243056 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -34.831469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.831469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.831469 (E_RNA) where: Base-Base interactions energy: -12.712 where: short stacking energy: -12.712 Base-Backbone interact. energy: -0.002 local terms energy: -22.117993 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -38.897004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.897004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.897004 (E_RNA) where: Base-Base interactions energy: -12.494 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.031 local terms energy: -26.371484 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.307 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: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -34.004610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004610 (E_RNA) where: Base-Base interactions energy: -12.060 where: short stacking energy: -12.060 Base-Backbone interact. energy: -0.004 local terms energy: -21.941175 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -4.053 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: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -35.189484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.189484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.189484 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.007 local terms energy: -25.255558 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -27.511097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.511097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.511097 (E_RNA) where: Base-Base interactions energy: -8.603 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.073 local terms energy: -18.834879 where: bonds (distance) C4'-P energy: -2.898 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -31.801607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.801607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.801607 (E_RNA) where: Base-Base interactions energy: -12.839 where: short stacking energy: -12.839 Base-Backbone interact. energy: -0.055 local terms energy: -18.908220 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -3.502 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.944 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: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -27.905431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.905431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.905431 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.157 local terms energy: -18.250591 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -1.150 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: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -38.570249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.570249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.570249 (E_RNA) where: Base-Base interactions energy: -14.038 where: short stacking energy: -14.038 Base-Backbone interact. energy: -0.031 local terms energy: -24.500890 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -40.243524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243524 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.000 local terms energy: -28.681604 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -6.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -37.471652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.471652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.471652 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.000 local terms energy: -23.108282 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.595 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: 159 Temperature: 1.050000 Total energy: -37.476966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.476966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.476966 (E_RNA) where: Base-Base interactions energy: -13.499 where: short stacking energy: -13.499 Base-Backbone interact. energy: -0.099 local terms energy: -23.878919 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -39.332595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.332595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.332595 (E_RNA) where: Base-Base interactions energy: -16.233 where: short stacking energy: -16.233 Base-Backbone interact. energy: -0.000 local terms energy: -23.099534 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -5.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -32.766419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.766419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.766419 (E_RNA) where: Base-Base interactions energy: -8.290 where: short stacking energy: -8.290 Base-Backbone interact. energy: -0.094 local terms energy: -24.381972 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.931 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: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -34.908761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908761 (E_RNA) where: Base-Base interactions energy: -9.979 where: short stacking energy: -9.979 Base-Backbone interact. energy: -0.000 local terms energy: -24.929271 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -5.522 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: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -28.098255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.098255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.098255 (E_RNA) where: Base-Base interactions energy: -10.944 where: short stacking energy: -8.312 Base-Backbone interact. energy: -0.146 local terms energy: -17.009042 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -2.511 flat angles P-C4'-P energy: -4.093 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: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -29.426148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.426148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.426148 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.000 local terms energy: -21.804653 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -28.151174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151174 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.100 local terms energy: -19.850321 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.538 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: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -36.332866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.332866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.332866 (E_RNA) where: Base-Base interactions energy: -16.885 where: short stacking energy: -16.885 Base-Backbone interact. energy: -0.027 local terms energy: -19.421170 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -2.069 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: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -39.981436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.981436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.981436 (E_RNA) where: Base-Base interactions energy: -19.060 where: short stacking energy: -19.060 Base-Backbone interact. energy: -0.076 local terms energy: -20.845309 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -36.783273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783273 (E_RNA) where: Base-Base interactions energy: -11.259 where: short stacking energy: -11.259 Base-Backbone interact. energy: -0.081 local terms energy: -25.443265 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -40.013455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.013455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.013455 (E_RNA) where: Base-Base interactions energy: -15.304 where: short stacking energy: -15.304 Base-Backbone interact. energy: -0.007 local terms energy: -24.701856 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -5.593 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -36.263623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.263623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.263623 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.000 local terms energy: -24.493434 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -3.718 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -32.394128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394128 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.061 local terms energy: -22.635109 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.821 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: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -30.234029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.234029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.234029 (E_RNA) where: Base-Base interactions energy: -6.216 where: short stacking energy: -6.216 Base-Backbone interact. energy: -0.001 local terms energy: -24.017487 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.988 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: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -31.681022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.681022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.681022 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -9.348 Base-Backbone interact. energy: -0.000 local terms energy: -22.333314 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -30.207235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.207235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.207235 (E_RNA) where: Base-Base interactions energy: -8.522 where: short stacking energy: -8.522 Base-Backbone interact. energy: -0.093 local terms energy: -21.591452 where: bonds (distance) C4'-P energy: -3.133 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -32.962740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.962740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.962740 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.000 local terms energy: -20.945619 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -44.326102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.326102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.326102 (E_RNA) where: Base-Base interactions energy: -17.096 where: short stacking energy: -17.096 Base-Backbone interact. energy: -0.000 local terms energy: -27.229924 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -37.312652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.312652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.312652 (E_RNA) where: Base-Base interactions energy: -15.164 where: short stacking energy: -15.164 Base-Backbone interact. energy: -0.012 local terms energy: -22.136675 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -37.582304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.582304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.582304 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: -0.062 local terms energy: -23.603154 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -37.406026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.406026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.406026 (E_RNA) where: Base-Base interactions energy: -13.936 where: short stacking energy: -13.936 Base-Backbone interact. energy: -0.000 local terms energy: -23.469688 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -4.180 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: 161 Temperature: 1.100000 Total energy: -32.887492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.887492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.887492 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.066 local terms energy: -24.042560 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -5.203 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: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -31.281373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.281373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.281373 (E_RNA) where: Base-Base interactions energy: -9.813 where: short stacking energy: -9.813 Base-Backbone interact. energy: -0.000 local terms energy: -21.468694 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -33.429047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429047 (E_RNA) where: Base-Base interactions energy: -14.429 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.000 local terms energy: -18.999854 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -1.484 flat angles P-C4'-P energy: -2.078 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -33.854322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.854322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.854322 (E_RNA) where: Base-Base interactions energy: -9.085 where: short stacking energy: -9.085 Base-Backbone interact. energy: -0.000 local terms energy: -24.768822 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -29.057157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.057157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.057157 (E_RNA) where: Base-Base interactions energy: -3.914 where: short stacking energy: -3.914 Base-Backbone interact. energy: -0.001 local terms energy: -25.141668 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -30.455541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.455541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.455541 (E_RNA) where: Base-Base interactions energy: -9.893 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.001 local terms energy: -20.561130 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -1.124 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -37.622119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.622119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.622119 (E_RNA) where: Base-Base interactions energy: -12.798 where: short stacking energy: -12.798 Base-Backbone interact. energy: -0.000 local terms energy: -24.824022 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -5.101 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: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -40.582720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582720 (E_RNA) where: Base-Base interactions energy: -17.953 where: short stacking energy: -17.953 Base-Backbone interact. energy: -0.055 local terms energy: -22.574324 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.727 flat angles P-C4'-P energy: -4.225 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: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -36.517383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.517383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.517383 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.000 local terms energy: -25.570510 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -4.320 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: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -36.559390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.559390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.559390 (E_RNA) where: Base-Base interactions energy: -14.600 where: short stacking energy: -14.600 Base-Backbone interact. energy: 0.099 local terms energy: -22.057587 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -36.253933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.253933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.253933 (E_RNA) where: Base-Base interactions energy: -14.219 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.383 local terms energy: -21.651717 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -3.889 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: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -35.471813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.471813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.471813 (E_RNA) where: Base-Base interactions energy: -11.688 where: short stacking energy: -11.688 Base-Backbone interact. energy: -0.001 local terms energy: -23.783197 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -28.759556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.759556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.759556 (E_RNA) where: Base-Base interactions energy: -10.954 where: short stacking energy: -10.954 Base-Backbone interact. energy: -0.000 local terms energy: -17.805672 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -2.851 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: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -30.714933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.714933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.714933 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -6.234 Base-Backbone interact. energy: -0.098 local terms energy: -20.811095 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.296 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -33.641994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.641994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.641994 (E_RNA) where: Base-Base interactions energy: -11.545 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.000 local terms energy: -22.097348 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -2.377 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -26.479818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.479818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.479818 (E_RNA) where: Base-Base interactions energy: -9.075 where: short stacking energy: -9.075 Base-Backbone interact. energy: -0.097 local terms energy: -17.308039 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -37.334256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.334256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.334256 (E_RNA) where: Base-Base interactions energy: -13.417 where: short stacking energy: -13.417 Base-Backbone interact. energy: -0.000 local terms energy: -23.916794 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -39.734188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.734188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.734188 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.001 local terms energy: -26.682251 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -35.951914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.951914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.951914 (E_RNA) where: Base-Base interactions energy: -13.448 where: short stacking energy: -13.448 Base-Backbone interact. energy: -0.008 local terms energy: -22.495565 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -38.495422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.495422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.495422 (E_RNA) where: Base-Base interactions energy: -15.540 where: short stacking energy: -15.540 Base-Backbone interact. energy: 0.590 local terms energy: -23.545489 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.416 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -33.975613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.975613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.975613 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.027 local terms energy: -23.550035 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -5.115 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: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -35.953979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.953979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.953979 (E_RNA) where: Base-Base interactions energy: -16.502 where: short stacking energy: -16.502 Base-Backbone interact. energy: -0.000 local terms energy: -19.451585 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: 0.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -37.270185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.270185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.270185 (E_RNA) where: Base-Base interactions energy: -12.501 where: short stacking energy: -12.501 Base-Backbone interact. energy: -0.026 local terms energy: -24.742880 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -30.406507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.406507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.406507 (E_RNA) where: Base-Base interactions energy: -12.719 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.001 local terms energy: -17.687045 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -4.256 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -29.177956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.177956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.177956 (E_RNA) where: Base-Base interactions energy: -8.973 where: short stacking energy: -8.973 Base-Backbone interact. energy: -0.103 local terms energy: -20.101862 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.892 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: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -28.270268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.270268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.270268 (E_RNA) where: Base-Base interactions energy: -8.978 where: short stacking energy: -8.978 Base-Backbone interact. energy: -0.058 local terms energy: -19.234295 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.542 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: 4 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -40.969746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.969746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.969746 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.000 local terms energy: -27.240685 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -38.664660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.664660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.664660 (E_RNA) where: Base-Base interactions energy: -15.080 where: short stacking energy: -15.080 Base-Backbone interact. energy: -0.000 local terms energy: -23.584322 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -39.508308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.508308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.508308 (E_RNA) where: Base-Base interactions energy: -14.849 where: short stacking energy: -14.849 Base-Backbone interact. energy: -0.094 local terms energy: -24.564636 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.142 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: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -38.937946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.937946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.937946 (E_RNA) where: Base-Base interactions energy: -15.710 where: short stacking energy: -15.710 Base-Backbone interact. energy: -0.015 local terms energy: -23.212538 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -38.697147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.697147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.697147 (E_RNA) where: Base-Base interactions energy: -13.106 where: short stacking energy: -13.106 Base-Backbone interact. energy: -0.002 local terms energy: -25.588844 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -36.991510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.991510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.991510 (E_RNA) where: Base-Base interactions energy: -13.891 where: short stacking energy: -13.891 Base-Backbone interact. energy: -0.062 local terms energy: -23.038902 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -3.973 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -33.958477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.958477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.958477 (E_RNA) where: Base-Base interactions energy: -12.292 where: short stacking energy: -12.292 Base-Backbone interact. energy: -0.065 local terms energy: -21.601006 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -27.914480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.914480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.914480 (E_RNA) where: Base-Base interactions energy: -7.294 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.032 local terms energy: -20.588349 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.247 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: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -31.391683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391683 (E_RNA) where: Base-Base interactions energy: -11.786 where: short stacking energy: -11.786 Base-Backbone interact. energy: -0.000 local terms energy: -19.605400 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -2.949 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: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -33.019397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019397 (E_RNA) where: Base-Base interactions energy: -13.825 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.002 local terms energy: -19.192102 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -42.983476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.983476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.983476 (E_RNA) where: Base-Base interactions energy: -17.570 where: short stacking energy: -17.570 Base-Backbone interact. energy: -0.002 local terms energy: -25.410618 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.536 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: 2, replica: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -37.423088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.423088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.423088 (E_RNA) where: Base-Base interactions energy: -12.993 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.101 local terms energy: -24.328999 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.928 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: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -35.996983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.996983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.996983 (E_RNA) where: Base-Base interactions energy: -11.963 where: short stacking energy: -11.963 Base-Backbone interact. energy: -0.004 local terms energy: -24.030874 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -36.446852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.446852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.446852 (E_RNA) where: Base-Base interactions energy: -15.019 where: short stacking energy: -15.019 Base-Backbone interact. energy: -0.005 local terms energy: -21.422078 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -3.824 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -35.689151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.689151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.689151 (E_RNA) where: Base-Base interactions energy: -14.321 where: short stacking energy: -14.321 Base-Backbone interact. energy: -0.099 local terms energy: -21.269098 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -36.501423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.501423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.501423 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.000 local terms energy: -24.107385 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -30.525332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.525332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.525332 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: 0.029 local terms energy: -22.318345 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.091 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: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -33.023210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.023210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.023210 (E_RNA) where: Base-Base interactions energy: -14.914 where: short stacking energy: -14.914 Base-Backbone interact. energy: -0.061 local terms energy: -18.047509 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -4.269 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -29.479012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.479012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.479012 (E_RNA) where: Base-Base interactions energy: -6.480 where: short stacking energy: -6.480 Base-Backbone interact. energy: -0.000 local terms energy: -22.998401 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -25.569924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.569924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.569924 (E_RNA) where: Base-Base interactions energy: -9.709 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.147 local terms energy: -15.714147 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: 1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -41.258718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.258718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.258718 (E_RNA) where: Base-Base interactions energy: -14.829 where: short stacking energy: -14.829 Base-Backbone interact. energy: -0.000 local terms energy: -26.429948 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -4.254 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: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -38.508986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.508986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.508986 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.001 local terms energy: -24.607283 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -35.380748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.380748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.380748 (E_RNA) where: Base-Base interactions energy: -11.953 where: short stacking energy: -11.953 Base-Backbone interact. energy: -0.001 local terms energy: -23.426309 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -4.138 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -36.495343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.495343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.495343 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.055 local terms energy: -23.611941 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -1.819 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: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -35.262730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.262730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.262730 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.000 local terms energy: -21.877761 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.574 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: 6, replica: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -34.953713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.953713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.953713 (E_RNA) where: Base-Base interactions energy: -10.944 where: short stacking energy: -10.944 Base-Backbone interact. energy: -0.003 local terms energy: -24.007121 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -33.768355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.768355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.768355 (E_RNA) where: Base-Base interactions energy: -10.413 where: short stacking energy: -10.413 Base-Backbone interact. energy: -0.000 local terms energy: -23.355421 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -31.627835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.627835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.627835 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.005 local terms energy: -22.400666 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -2.814 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: 9, replica: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -29.307531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.307531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.307531 (E_RNA) where: Base-Base interactions energy: -8.789 where: short stacking energy: -8.789 Base-Backbone interact. energy: -0.100 local terms energy: -20.418648 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -2.817 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: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -31.832988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.832988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.832988 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.015 local terms energy: -23.731279 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -5.232 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: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -37.319322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.319322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.319322 (E_RNA) where: Base-Base interactions energy: -13.303 where: short stacking energy: -13.303 Base-Backbone interact. energy: -0.000 local terms energy: -24.016190 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -36.857684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.857684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.857684 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.000 local terms energy: -23.768957 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -3.713 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: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -38.270999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.270999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.270999 (E_RNA) where: Base-Base interactions energy: -16.050 where: short stacking energy: -16.050 Base-Backbone interact. energy: -0.004 local terms energy: -22.216573 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.453 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: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -30.790397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790397 (E_RNA) where: Base-Base interactions energy: -10.866 where: short stacking energy: -10.866 Base-Backbone interact. energy: -0.024 local terms energy: -19.900689 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -1.593 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: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -32.765690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.765690 (E_RNA) where: Base-Base interactions energy: -9.143 where: short stacking energy: -9.143 Base-Backbone interact. energy: -0.091 local terms energy: -23.532202 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -1.355 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: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -35.958989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.958989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.958989 (E_RNA) where: Base-Base interactions energy: -13.314 where: short stacking energy: -13.314 Base-Backbone interact. energy: -0.027 local terms energy: -22.617356 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -33.722677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.722677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.722677 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.025 local terms energy: -23.812066 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -29.694071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.694071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.694071 (E_RNA) where: Base-Base interactions energy: -7.779 where: short stacking energy: -7.779 Base-Backbone interact. energy: -0.007 local terms energy: -21.908905 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -34.281409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.281409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.281409 (E_RNA) where: Base-Base interactions energy: -12.537 where: short stacking energy: -12.537 Base-Backbone interact. energy: -0.004 local terms energy: -21.740766 where: bonds (distance) C4'-P energy: -3.788 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.374 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: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -29.282216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.282216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.282216 (E_RNA) where: Base-Base interactions energy: -6.124 where: short stacking energy: -6.124 Base-Backbone interact. energy: -0.000 local terms energy: -23.157666 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -39.959963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.959963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.959963 (E_RNA) where: Base-Base interactions energy: -17.765 where: short stacking energy: -17.765 Base-Backbone interact. energy: -0.027 local terms energy: -22.167646 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -3.335 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: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -41.333093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.333093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.333093 (E_RNA) where: Base-Base interactions energy: -13.325 where: short stacking energy: -13.325 Base-Backbone interact. energy: -0.000 local terms energy: -28.008155 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -39.141865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.141865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.141865 (E_RNA) where: Base-Base interactions energy: -14.111 where: short stacking energy: -14.111 Base-Backbone interact. energy: -0.038 local terms energy: -24.993646 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -33.619063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.619063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.619063 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -7.689 Base-Backbone interact. energy: -0.006 local terms energy: -24.582494 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -30.856458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.856458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.856458 (E_RNA) where: Base-Base interactions energy: -8.668 where: short stacking energy: -8.668 Base-Backbone interact. energy: -1.994 local terms energy: -20.194709 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.658 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: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -35.656819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656819 (E_RNA) where: Base-Base interactions energy: -11.556 where: short stacking energy: -11.556 Base-Backbone interact. energy: -0.000 local terms energy: -24.100658 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -30.410437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.410437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.410437 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.045 local terms energy: -20.398510 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -2.495 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: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -27.877675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.877675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.877675 (E_RNA) where: Base-Base interactions energy: -8.709 where: short stacking energy: -8.709 Base-Backbone interact. energy: -0.094 local terms energy: -19.074546 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -4.421 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -31.932746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.932746 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.006 local terms energy: -20.574261 where: bonds (distance) C4'-P energy: -3.805 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.406 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: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -31.307366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.307366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.307366 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.000 local terms energy: -19.062919 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -4.575 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: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -42.455090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.455090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.455090 (E_RNA) where: Base-Base interactions energy: -17.521 where: short stacking energy: -17.521 Base-Backbone interact. energy: -0.087 local terms energy: -24.846563 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -40.898909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.898909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.898909 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.001 local terms energy: -28.182874 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -41.434906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.434906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.434906 (E_RNA) where: Base-Base interactions energy: -14.581 where: short stacking energy: -14.581 Base-Backbone interact. energy: -0.000 local terms energy: -26.853810 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -36.497992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.497992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.497992 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -12.164 Base-Backbone interact. energy: -0.023 local terms energy: -24.311014 where: bonds (distance) C4'-P energy: -4.086 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -33.793855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793855 (E_RNA) where: Base-Base interactions energy: -13.505 where: short stacking energy: -13.597 Base-Backbone interact. energy: -0.214 local terms energy: -20.075230 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.639 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: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -34.808108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.808108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.808108 (E_RNA) where: Base-Base interactions energy: -12.042 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.007 local terms energy: -22.759228 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -5.164 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: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -31.822682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.822682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.822682 (E_RNA) where: Base-Base interactions energy: -11.339 where: short stacking energy: -11.339 Base-Backbone interact. energy: -0.025 local terms energy: -20.458599 where: bonds (distance) C4'-P energy: -1.684 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -3.420 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: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -29.635956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635956 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.028 local terms energy: -19.317518 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -34.032211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.032211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.032211 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.000 local terms energy: -21.219929 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -2.486 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -27.657438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.657438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.657438 (E_RNA) where: Base-Base interactions energy: -11.463 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.000 local terms energy: -16.194296 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -0.072 tors. eta vs tors. theta energy: 0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -39.526812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.526812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.526812 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.852 Base-Backbone interact. energy: -0.000 local terms energy: -26.675022 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -5.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -38.092366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.092366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.092366 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.003 local terms energy: -24.830327 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -3.348 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: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -37.750694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.750694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.750694 (E_RNA) where: Base-Base interactions energy: -17.347 where: short stacking energy: -17.347 Base-Backbone interact. energy: -0.001 local terms energy: -20.402427 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -2.166 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: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -37.703631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.703631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.703631 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -14.305 Base-Backbone interact. energy: -0.000 local terms energy: -23.398704 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -1.112 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -34.826895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.826895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.826895 (E_RNA) where: Base-Base interactions energy: -12.747 where: short stacking energy: -12.747 Base-Backbone interact. energy: 0.509 local terms energy: -22.589230 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -3.141 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: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -34.547660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.547660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.547660 (E_RNA) where: Base-Base interactions energy: -13.878 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.021 local terms energy: -20.648635 where: bonds (distance) C4'-P energy: -3.658 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.207 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: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -33.515008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515008 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -21.395970 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -37.918048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.918048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.918048 (E_RNA) where: Base-Base interactions energy: -14.145 where: short stacking energy: -14.145 Base-Backbone interact. energy: -0.000 local terms energy: -23.773032 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -32.745453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.745453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.745453 (E_RNA) where: Base-Base interactions energy: -12.803 where: short stacking energy: -12.803 Base-Backbone interact. energy: -0.000 local terms energy: -19.942520 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -25.669230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.669230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.669230 (E_RNA) where: Base-Base interactions energy: -6.580 where: short stacking energy: -6.580 Base-Backbone interact. energy: -0.013 local terms energy: -19.076265 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.951 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -0.734 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -43.067559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.067559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.067559 (E_RNA) where: Base-Base interactions energy: -13.506 where: short stacking energy: -13.506 Base-Backbone interact. energy: -0.004 local terms energy: -29.557790 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -39.364117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.364117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.364117 (E_RNA) where: Base-Base interactions energy: -15.941 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.001 local terms energy: -23.422073 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.309 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: 171 Temperature: 1.000000 Total energy: -34.317737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.317737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.317737 (E_RNA) where: Base-Base interactions energy: -13.694 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.008 local terms energy: -20.615543 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -1.735 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: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -37.415724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.415724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.415724 (E_RNA) where: Base-Base interactions energy: -11.386 where: short stacking energy: -11.386 Base-Backbone interact. energy: -0.000 local terms energy: -26.029644 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -39.249323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.249323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.249323 (E_RNA) where: Base-Base interactions energy: -15.099 where: short stacking energy: -15.099 Base-Backbone interact. energy: -0.399 local terms energy: -23.751117 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -33.992100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.992100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.992100 (E_RNA) where: Base-Base interactions energy: -10.359 where: short stacking energy: -10.359 Base-Backbone interact. energy: -0.000 local terms energy: -23.632751 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -33.102834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.102834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.102834 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.000 local terms energy: -22.539260 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -29.728317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.728317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.728317 (E_RNA) where: Base-Base interactions energy: -9.757 where: short stacking energy: -9.757 Base-Backbone interact. energy: -0.000 local terms energy: -19.971297 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.093 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: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -32.466673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.466673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.466673 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.000 local terms energy: -25.186429 where: bonds (distance) C4'-P energy: -4.086 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -32.116604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.116604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.116604 (E_RNA) where: Base-Base interactions energy: -12.856 where: short stacking energy: -12.856 Base-Backbone interact. energy: -0.017 local terms energy: -19.243588 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -2.957 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -2.165 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: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -43.408672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.408672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.408672 (E_RNA) where: Base-Base interactions energy: -17.539 where: short stacking energy: -17.539 Base-Backbone interact. energy: -0.044 local terms energy: -25.826126 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -38.520825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.520825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.520825 (E_RNA) where: Base-Base interactions energy: -14.256 where: short stacking energy: -14.256 Base-Backbone interact. energy: -0.000 local terms energy: -24.265014 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -35.762663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.762663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.762663 (E_RNA) where: Base-Base interactions energy: -13.127 where: short stacking energy: -13.127 Base-Backbone interact. energy: -0.001 local terms energy: -22.634717 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -33.684747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.684747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.684747 (E_RNA) where: Base-Base interactions energy: -12.662 where: short stacking energy: -12.662 Base-Backbone interact. energy: -0.022 local terms energy: -21.000822 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -4.230 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: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -29.440428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.440428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.440428 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.000 local terms energy: -17.142714 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -1.190 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -33.181325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.181325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.181325 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.064 local terms energy: -23.034178 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -30.853621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.853621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.853621 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.078 local terms energy: -17.650395 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -3.528 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.853 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: 8, replica: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -29.702305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.702305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.702305 (E_RNA) where: Base-Base interactions energy: -9.604 where: short stacking energy: -9.604 Base-Backbone interact. energy: -0.034 local terms energy: -20.064587 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -29.486681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.486681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.486681 (E_RNA) where: Base-Base interactions energy: -9.170 where: short stacking energy: -9.170 Base-Backbone interact. energy: -0.000 local terms energy: -20.316881 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -27.221935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.221935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.221935 (E_RNA) where: Base-Base interactions energy: -8.778 where: short stacking energy: -8.778 Base-Backbone interact. energy: 0.017 local terms energy: -18.461763 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -40.925631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.925631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.925631 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.000 local terms energy: -26.424289 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -36.426444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426444 (E_RNA) where: Base-Base interactions energy: -12.741 where: short stacking energy: -12.741 Base-Backbone interact. energy: -0.042 local terms energy: -23.643202 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -38.285551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.285551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.285551 (E_RNA) where: Base-Base interactions energy: -12.925 where: short stacking energy: -12.925 Base-Backbone interact. energy: -0.000 local terms energy: -25.359905 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -38.035442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.035442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.035442 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.006 local terms energy: -24.017701 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -35.007295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.007295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.007295 (E_RNA) where: Base-Base interactions energy: -10.478 where: short stacking energy: -10.478 Base-Backbone interact. energy: -0.000 local terms energy: -24.528879 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -36.330349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.330349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.330349 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.000 local terms energy: -21.747867 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.684 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: 7, replica: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -34.181452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.181452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.181452 (E_RNA) where: Base-Base interactions energy: -15.291 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.038 local terms energy: -18.852664 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -1.945 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -30.178880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.178880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.178880 (E_RNA) where: Base-Base interactions energy: -9.682 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.008 local terms energy: -20.488927 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -32.606193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.606193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.606193 (E_RNA) where: Base-Base interactions energy: -10.397 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.002 local terms energy: -22.207486 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -3.841 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -32.209960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.209960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.209960 (E_RNA) where: Base-Base interactions energy: -9.412 where: short stacking energy: -9.078 Base-Backbone interact. energy: -1.475 local terms energy: -21.323316 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -1.467 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: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -42.067252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.067252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.067252 (E_RNA) where: Base-Base interactions energy: -14.513 where: short stacking energy: -14.513 Base-Backbone interact. energy: -0.000 local terms energy: -27.554110 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -39.883847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.883847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.883847 (E_RNA) where: Base-Base interactions energy: -16.904 where: short stacking energy: -16.904 Base-Backbone interact. energy: -0.013 local terms energy: -22.966660 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -38.633859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.633859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.633859 (E_RNA) where: Base-Base interactions energy: -13.547 where: short stacking energy: -13.547 Base-Backbone interact. energy: -0.000 local terms energy: -25.086556 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -31.460485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.460485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.460485 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.429 Base-Backbone interact. energy: -0.057 local terms energy: -20.617719 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -32.097609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.097609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.097609 (E_RNA) where: Base-Base interactions energy: -11.312 where: short stacking energy: -11.312 Base-Backbone interact. energy: -0.405 local terms energy: -20.380069 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -2.997 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: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -37.802812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.802812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.802812 (E_RNA) where: Base-Base interactions energy: -13.990 where: short stacking energy: -13.990 Base-Backbone interact. energy: -0.026 local terms energy: -23.786335 where: bonds (distance) C4'-P energy: -3.954 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -32.106041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106041 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.101 local terms energy: -21.686469 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -29.747952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.747952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.747952 (E_RNA) where: Base-Base interactions energy: -8.009 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.398 local terms energy: -21.341598 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: 0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -30.350023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.350023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.350023 (E_RNA) where: Base-Base interactions energy: -10.174 where: short stacking energy: -10.174 Base-Backbone interact. energy: -0.048 local terms energy: -20.127130 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.404 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: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -32.440840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.440840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.440840 (E_RNA) where: Base-Base interactions energy: -9.888 where: short stacking energy: -9.888 Base-Backbone interact. energy: -0.041 local terms energy: -22.512152 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -1.412 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: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -41.801678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.801678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.801678 (E_RNA) where: Base-Base interactions energy: -16.645 where: short stacking energy: -16.645 Base-Backbone interact. energy: -0.000 local terms energy: -25.156780 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -5.048 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: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -39.550959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.550959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.550959 (E_RNA) where: Base-Base interactions energy: -13.055 where: short stacking energy: -13.055 Base-Backbone interact. energy: -0.003 local terms energy: -26.493322 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -30.515908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.515908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.515908 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.099 local terms energy: -19.072773 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: 0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -33.983258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.983258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.983258 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.002 local terms energy: -21.223690 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -3.636 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: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -31.689792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.689792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.689792 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -1.409 local terms energy: -20.636123 where: bonds (distance) C4'-P energy: -3.212 bonds (distance) P-C4' energy: -3.902 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -40.803005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803005 (E_RNA) where: Base-Base interactions energy: -16.710 where: short stacking energy: -16.710 Base-Backbone interact. energy: -0.004 local terms energy: -24.088605 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -33.694000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.694000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.694000 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.703 Base-Backbone interact. energy: -0.000 local terms energy: -22.991068 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -30.405217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405217 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.020 local terms energy: -20.529348 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.276 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -34.809815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809815 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.000 local terms energy: -20.368535 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -28.448653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.448653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.448653 (E_RNA) where: Base-Base interactions energy: -8.262 where: short stacking energy: -8.262 Base-Backbone interact. energy: -0.019 local terms energy: -20.167269 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.291 flat angles P-C4'-P energy: -2.139 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: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -40.837693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.837693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.837693 (E_RNA) where: Base-Base interactions energy: -16.821 where: short stacking energy: -16.821 Base-Backbone interact. energy: -0.010 local terms energy: -24.006673 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.067 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: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -45.004430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.004430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.004430 (E_RNA) where: Base-Base interactions energy: -16.859 where: short stacking energy: -16.859 Base-Backbone interact. energy: -0.000 local terms energy: -28.145843 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -35.736452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.736452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.736452 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.000 local terms energy: -22.796581 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.508 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: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -32.436248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.436248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.436248 (E_RNA) where: Base-Base interactions energy: -9.538 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.856 local terms energy: -22.042535 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.935 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: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -35.810461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.810461 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -11.012 Base-Backbone interact. energy: -0.000 local terms energy: -24.798606 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -3.579 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: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -34.095486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.095486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.095486 (E_RNA) where: Base-Base interactions energy: -11.083 where: short stacking energy: -11.083 Base-Backbone interact. energy: -0.000 local terms energy: -23.012051 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -34.472683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.472683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.472683 (E_RNA) where: Base-Base interactions energy: -17.846 where: short stacking energy: -17.846 Base-Backbone interact. energy: -0.000 local terms energy: -16.626299 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -0.116 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -33.206422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.206422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.206422 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.000 local terms energy: -24.906830 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -31.668324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668324 (E_RNA) where: Base-Base interactions energy: -12.363 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.026 local terms energy: -19.279830 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -30.924520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924520 (E_RNA) where: Base-Base interactions energy: -12.381 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.000 local terms energy: -18.543722 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -39.950317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.950317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.950317 (E_RNA) where: Base-Base interactions energy: -14.182 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.017 local terms energy: -25.750544 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.837 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: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -42.347335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.347335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.347335 (E_RNA) where: Base-Base interactions energy: -18.199 where: short stacking energy: -18.199 Base-Backbone interact. energy: -0.000 local terms energy: -24.148203 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -37.910342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.910342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.910342 (E_RNA) where: Base-Base interactions energy: -13.073 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.000 local terms energy: -24.837457 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -36.484798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.484798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.484798 (E_RNA) where: Base-Base interactions energy: -15.927 where: short stacking energy: -15.927 Base-Backbone interact. energy: -0.005 local terms energy: -20.552378 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -1.057 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -37.861053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.861053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.861053 (E_RNA) where: Base-Base interactions energy: -13.801 where: short stacking energy: -13.801 Base-Backbone interact. energy: -0.001 local terms energy: -24.058962 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -36.368505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.368505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.368505 (E_RNA) where: Base-Base interactions energy: -12.522 where: short stacking energy: -12.522 Base-Backbone interact. energy: -0.000 local terms energy: -23.846119 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -34.004942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004942 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.000 local terms energy: -20.666779 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.007 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: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -29.979255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.979255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.979255 (E_RNA) where: Base-Base interactions energy: -7.615 where: short stacking energy: -7.615 Base-Backbone interact. energy: -0.008 local terms energy: -22.355635 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -32.504205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.504205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.504205 (E_RNA) where: Base-Base interactions energy: -12.310 where: short stacking energy: -12.310 Base-Backbone interact. energy: -0.001 local terms energy: -20.193107 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -3.325 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: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -27.539938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.539938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.539938 (E_RNA) where: Base-Base interactions energy: -9.607 where: short stacking energy: -9.607 Base-Backbone interact. energy: -0.052 local terms energy: -17.881580 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.270 flat angles P-C4'-P energy: -2.043 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -38.876958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.876958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.876958 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -15.375 Base-Backbone interact. energy: -0.945 local terms energy: -23.014853 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -33.966219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.966219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.966219 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.009 local terms energy: -24.538412 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -5.241 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: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -35.248038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248038 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.057 local terms energy: -23.713327 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -5.217 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: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -36.159875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.159875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.159875 (E_RNA) where: Base-Base interactions energy: -13.046 where: short stacking energy: -13.046 Base-Backbone interact. energy: -0.093 local terms energy: -23.020403 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -2.710 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: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -36.867071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.867071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.867071 (E_RNA) where: Base-Base interactions energy: -12.876 where: short stacking energy: -12.876 Base-Backbone interact. energy: -0.003 local terms energy: -23.988191 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.822 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: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -31.956116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.956116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.956116 (E_RNA) where: Base-Base interactions energy: -9.278 where: short stacking energy: -9.278 Base-Backbone interact. energy: -0.083 local terms energy: -22.594966 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.893 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: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -31.286452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.286452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.286452 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.001 local terms energy: -22.334978 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.247 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: 8, replica: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -31.360592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.360592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.360592 (E_RNA) where: Base-Base interactions energy: -9.062 where: short stacking energy: -9.062 Base-Backbone interact. energy: -0.013 local terms energy: -22.286157 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.417 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -27.651745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.651745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.651745 (E_RNA) where: Base-Base interactions energy: -9.241 where: short stacking energy: -9.241 Base-Backbone interact. energy: -0.079 local terms energy: -18.332315 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -29.056330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.056330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.056330 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.000 local terms energy: -21.631403 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.497 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: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -39.317163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.317163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.317163 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.067 local terms energy: -27.111284 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -35.406496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.406496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.406496 (E_RNA) where: Base-Base interactions energy: -10.164 where: short stacking energy: -10.164 Base-Backbone interact. energy: -0.004 local terms energy: -25.239253 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -39.444013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.444013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.444013 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.000 local terms energy: -26.780831 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -36.749184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.749184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.749184 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.001 local terms energy: -25.914543 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -36.381800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.381800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.381800 (E_RNA) where: Base-Base interactions energy: -13.233 where: short stacking energy: -13.233 Base-Backbone interact. energy: -0.016 local terms energy: -23.132518 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -32.690620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.690620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.690620 (E_RNA) where: Base-Base interactions energy: -9.371 where: short stacking energy: -9.371 Base-Backbone interact. energy: -0.000 local terms energy: -23.319412 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -35.756951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756951 (E_RNA) where: Base-Base interactions energy: -13.905 where: short stacking energy: -13.905 Base-Backbone interact. energy: -0.008 local terms energy: -21.843912 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -30.660242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.660242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.660242 (E_RNA) where: Base-Base interactions energy: -9.184 where: short stacking energy: -9.184 Base-Backbone interact. energy: 0.298 local terms energy: -21.774282 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.168 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: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -29.707077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.707077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.707077 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.063 local terms energy: -21.657595 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -5.051 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: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -28.228250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.228250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.228250 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.016 local terms energy: -17.816890 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -0.136 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -45.402754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.402754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.402754 (E_RNA) where: Base-Base interactions energy: -19.442 where: short stacking energy: -16.497 Base-Backbone interact. energy: -0.009 local terms energy: -25.951554 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -36.479469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.479469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.479469 (E_RNA) where: Base-Base interactions energy: -14.318 where: short stacking energy: -14.318 Base-Backbone interact. energy: -0.093 local terms energy: -22.067760 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -0.404 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: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -35.265123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.265123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.265123 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.000 local terms energy: -22.511958 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -4.249 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: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -29.017068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.017068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.017068 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.104 local terms energy: -19.761560 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -30.776259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.776259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.776259 (E_RNA) where: Base-Base interactions energy: -8.805 where: short stacking energy: -8.805 Base-Backbone interact. energy: -0.051 local terms energy: -21.919834 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.254 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: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -32.500770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.500770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.500770 (E_RNA) where: Base-Base interactions energy: -9.181 where: short stacking energy: -9.181 Base-Backbone interact. energy: -0.000 local terms energy: -23.319314 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -30.847449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.847449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.847449 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.001 local terms energy: -20.146574 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: 0.288 tors. eta vs tors. theta energy: -4.671 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: 180 Temperature: 1.250000 Total energy: -27.897640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.897640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.897640 (E_RNA) where: Base-Base interactions energy: -9.077 where: short stacking energy: -9.077 Base-Backbone interact. energy: -0.005 local terms energy: -18.816383 where: bonds (distance) C4'-P energy: -3.014 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -34.997422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.997422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.997422 (E_RNA) where: Base-Base interactions energy: -12.533 where: short stacking energy: -12.533 Base-Backbone interact. energy: -0.001 local terms energy: -22.463621 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -0.369 tors. eta vs tors. theta energy: -3.961 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: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -26.441154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.441154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.441154 (E_RNA) where: Base-Base interactions energy: -9.069 where: short stacking energy: -9.069 Base-Backbone interact. energy: -0.067 local terms energy: -17.304558 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: 0.223 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -40.688731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.688731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.688731 (E_RNA) where: Base-Base interactions energy: -15.503 where: short stacking energy: -15.503 Base-Backbone interact. energy: -0.009 local terms energy: -25.176989 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -34.816497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.816497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.816497 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.153 local terms energy: -22.632187 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -35.396661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.396661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.396661 (E_RNA) where: Base-Base interactions energy: -13.235 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.000 local terms energy: -22.161709 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -35.068932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.068932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.068932 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.804 Base-Backbone interact. energy: -0.002 local terms energy: -23.368412 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -4.753 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: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -34.036160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.036160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.036160 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.002 local terms energy: -20.750370 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.193 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -30.337028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.337028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.337028 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.000 local terms energy: -17.349017 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -1.723 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -31.696113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.696113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.696113 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -8.712 Base-Backbone interact. energy: -0.059 local terms energy: -22.924506 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.061 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: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -29.617722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.617722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.617722 (E_RNA) where: Base-Base interactions energy: -8.994 where: short stacking energy: -8.994 Base-Backbone interact. energy: -0.110 local terms energy: -20.513607 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -1.690 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -32.003093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.003093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.003093 (E_RNA) where: Base-Base interactions energy: -13.300 where: short stacking energy: -13.644 Base-Backbone interact. energy: -0.012 local terms energy: -18.691071 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -28.541500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.541500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.541500 (E_RNA) where: Base-Base interactions energy: -9.142 where: short stacking energy: -9.142 Base-Backbone interact. energy: -0.028 local terms energy: -19.371573 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -35.363895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.363895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.363895 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.099 local terms energy: -23.344855 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -1.943 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: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -38.373542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.373542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.373542 (E_RNA) where: Base-Base interactions energy: -14.279 where: short stacking energy: -14.279 Base-Backbone interact. energy: 0.183 local terms energy: -24.277172 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.363 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: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -35.868087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.868087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.868087 (E_RNA) where: Base-Base interactions energy: -12.063 where: short stacking energy: -12.063 Base-Backbone interact. energy: -0.053 local terms energy: -23.751846 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -35.361849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361849 (E_RNA) where: Base-Base interactions energy: -13.222 where: short stacking energy: -13.222 Base-Backbone interact. energy: -0.025 local terms energy: -22.114426 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -39.109691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.109691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.109691 (E_RNA) where: Base-Base interactions energy: -13.839 where: short stacking energy: -13.839 Base-Backbone interact. energy: -0.000 local terms energy: -25.270537 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -35.428050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.428050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.428050 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.000 local terms energy: -21.585615 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -30.838363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.838363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.838363 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.002 local terms energy: -22.539225 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -4.735 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: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -32.828938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.828938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.828938 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -8.550 Base-Backbone interact. energy: 0.143 local terms energy: -24.422587 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -32.087192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.087192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.087192 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.006 local terms energy: -20.624968 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -29.056635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.056635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.056635 (E_RNA) where: Base-Base interactions energy: -8.750 where: short stacking energy: -8.750 Base-Backbone interact. energy: -0.037 local terms energy: -20.269517 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -1.949 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -43.871723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.871723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.871723 (E_RNA) where: Base-Base interactions energy: -17.029 where: short stacking energy: -17.029 Base-Backbone interact. energy: -0.016 local terms energy: -26.826259 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -45.368213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.368213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.368213 (E_RNA) where: Base-Base interactions energy: -17.966 where: short stacking energy: -17.966 Base-Backbone interact. energy: -0.000 local terms energy: -27.402559 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -6.608 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: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -39.613973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.613973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.613973 (E_RNA) where: Base-Base interactions energy: -14.096 where: short stacking energy: -14.096 Base-Backbone interact. energy: -0.000 local terms energy: -25.517962 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -37.573479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.573479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.573479 (E_RNA) where: Base-Base interactions energy: -11.546 where: short stacking energy: -11.546 Base-Backbone interact. energy: -0.000 local terms energy: -26.027264 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -35.072270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.072270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.072270 (E_RNA) where: Base-Base interactions energy: -9.888 where: short stacking energy: -9.888 Base-Backbone interact. energy: -0.000 local terms energy: -25.183844 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -35.039192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.039192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.039192 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.753 Base-Backbone interact. energy: -0.001 local terms energy: -26.285482 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -3.923 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: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -31.496412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.496412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.496412 (E_RNA) where: Base-Base interactions energy: -8.812 where: short stacking energy: -8.812 Base-Backbone interact. energy: -0.043 local terms energy: -22.641975 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.083 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -4.006 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: 183 Temperature: 1.250000 Total energy: -34.824778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.824778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.824778 (E_RNA) where: Base-Base interactions energy: -12.281 where: short stacking energy: -12.281 Base-Backbone interact. energy: -0.098 local terms energy: -22.446310 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.192 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: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -30.710989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.710989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.710989 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.001 local terms energy: -22.743157 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.375 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: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -31.387120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387120 (E_RNA) where: Base-Base interactions energy: -8.845 where: short stacking energy: -8.845 Base-Backbone interact. energy: -0.108 local terms energy: -22.434608 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.573 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -41.130419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.130419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.130419 (E_RNA) where: Base-Base interactions energy: -16.981 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.000 local terms energy: -24.148936 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -39.155919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.155919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.155919 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.003 local terms energy: -26.074502 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.054 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: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -39.556276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.556276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.556276 (E_RNA) where: Base-Base interactions energy: -15.627 where: short stacking energy: -15.627 Base-Backbone interact. energy: -0.035 local terms energy: -23.894424 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -34.003788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.003788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.003788 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.705 local terms energy: -22.729570 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -35.470256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.470256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.470256 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.001 local terms energy: -24.851728 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -33.097816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.097816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.097816 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.017 local terms energy: -23.859999 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.070 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: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -31.469552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.469552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.469552 (E_RNA) where: Base-Base interactions energy: -12.571 where: short stacking energy: -12.571 Base-Backbone interact. energy: -0.000 local terms energy: -18.898600 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -32.438526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.438526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.438526 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.002 local terms energy: -24.713192 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -28.960921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.960921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.960921 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.001 local terms energy: -16.579421 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -2.659 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -26.773937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.773937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.773937 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.069 local terms energy: -18.075080 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -2.213 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -1.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -35.480539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480539 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.000 local terms energy: -27.778150 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -40.923101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.923101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.923101 (E_RNA) where: Base-Base interactions energy: -13.122 where: short stacking energy: -13.122 Base-Backbone interact. energy: -0.000 local terms energy: -27.801269 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -33.909649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.909649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.909649 (E_RNA) where: Base-Base interactions energy: -12.618 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.018 local terms energy: -21.273056 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.508 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: 185 Temperature: 1.050000 Total energy: -37.641434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.641434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.641434 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.000 local terms energy: -24.850051 where: bonds (distance) C4'-P energy: -3.937 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -38.282142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.282142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.282142 (E_RNA) where: Base-Base interactions energy: -13.937 where: short stacking energy: -13.937 Base-Backbone interact. energy: -0.017 local terms energy: -24.327594 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -35.157686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.157686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.157686 (E_RNA) where: Base-Base interactions energy: -10.496 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.100 local terms energy: -24.562424 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -29.439411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.439411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.439411 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.003 local terms energy: -19.379194 where: bonds (distance) C4'-P energy: -2.198 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.545 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: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -33.030608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.030608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.030608 (E_RNA) where: Base-Base interactions energy: -11.896 where: short stacking energy: -11.896 Base-Backbone interact. energy: -0.012 local terms energy: -21.121817 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.739 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -34.761931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.761931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.761931 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.000 local terms energy: -22.717731 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -28.112785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.112785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.112785 (E_RNA) where: Base-Base interactions energy: -5.954 where: short stacking energy: -5.954 Base-Backbone interact. energy: -0.009 local terms energy: -22.149404 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.661 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: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -38.903413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.903413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.903413 (E_RNA) where: Base-Base interactions energy: -13.223 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.010 local terms energy: -25.670492 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -5.104 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: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -40.520003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.520003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.520003 (E_RNA) where: Base-Base interactions energy: -11.513 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.000 local terms energy: -29.007104 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -36.351954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.351954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.351954 (E_RNA) where: Base-Base interactions energy: -13.566 where: short stacking energy: -13.566 Base-Backbone interact. energy: -0.000 local terms energy: -22.785574 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -36.726716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.726716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.726716 (E_RNA) where: Base-Base interactions energy: -13.848 where: short stacking energy: -13.848 Base-Backbone interact. energy: -0.030 local terms energy: -22.848772 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -4.847 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: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -29.999048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.999048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.999048 (E_RNA) where: Base-Base interactions energy: -8.773 where: short stacking energy: -8.773 Base-Backbone interact. energy: -0.001 local terms energy: -21.225281 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -35.173419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.173419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.173419 (E_RNA) where: Base-Base interactions energy: -17.740 where: short stacking energy: -17.740 Base-Backbone interact. energy: -0.110 local terms energy: -17.323356 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -33.522279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.522279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.522279 (E_RNA) where: Base-Base interactions energy: -9.623 where: short stacking energy: -9.623 Base-Backbone interact. energy: -0.000 local terms energy: -23.899665 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -31.494678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.494678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.494678 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.879 Base-Backbone interact. energy: -0.012 local terms energy: -20.603044 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -36.140890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.140890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.140890 (E_RNA) where: Base-Base interactions energy: -11.538 where: short stacking energy: -11.538 Base-Backbone interact. energy: -0.000 local terms energy: -24.602629 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -2.241 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: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -27.775772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.775772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.775772 (E_RNA) where: Base-Base interactions energy: -6.230 where: short stacking energy: -6.230 Base-Backbone interact. energy: -0.011 local terms energy: -21.535422 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.348 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -38.349983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.349983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.349983 (E_RNA) where: Base-Base interactions energy: -14.617 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.007 local terms energy: -23.725797 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -41.792602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.792602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.792602 (E_RNA) where: Base-Base interactions energy: -17.316 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.000 local terms energy: -24.476737 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -40.051275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.051275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.051275 (E_RNA) where: Base-Base interactions energy: -14.984 where: short stacking energy: -14.984 Base-Backbone interact. energy: -0.000 local terms energy: -25.066926 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -34.011342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.011342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.011342 (E_RNA) where: Base-Base interactions energy: -8.944 where: short stacking energy: -8.944 Base-Backbone interact. energy: -0.347 local terms energy: -24.719951 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -36.753825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753825 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.060 local terms energy: -25.937753 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -29.441162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.441162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.441162 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.091 local terms energy: -20.198582 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: 0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -34.451278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451278 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.000 local terms energy: -22.271480 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -4.439 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: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -32.168152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168152 (E_RNA) where: Base-Base interactions energy: -12.802 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.061 local terms energy: -19.304971 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -34.501842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.501842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.501842 (E_RNA) where: Base-Base interactions energy: -12.156 where: short stacking energy: -12.002 Base-Backbone interact. energy: -0.012 local terms energy: -22.334133 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -29.272819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.272819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.272819 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.955 local terms energy: -19.037185 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -5.202 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: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -39.810836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.810836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.810836 (E_RNA) where: Base-Base interactions energy: -15.127 where: short stacking energy: -15.127 Base-Backbone interact. energy: -0.000 local terms energy: -24.684153 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -43.701362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.701362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.701362 (E_RNA) where: Base-Base interactions energy: -18.299 where: short stacking energy: -18.299 Base-Backbone interact. energy: -0.032 local terms energy: -25.370727 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -40.756645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.756645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.756645 (E_RNA) where: Base-Base interactions energy: -17.140 where: short stacking energy: -17.140 Base-Backbone interact. energy: -0.001 local terms energy: -23.615867 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -35.310581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.310581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.310581 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.001 local terms energy: -23.698245 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -34.844764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.844764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.844764 (E_RNA) where: Base-Base interactions energy: -13.063 where: short stacking energy: -13.063 Base-Backbone interact. energy: -0.047 local terms energy: -21.734217 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.932 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: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -38.135882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.135882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.135882 (E_RNA) where: Base-Base interactions energy: -16.782 where: short stacking energy: -16.782 Base-Backbone interact. energy: -0.000 local terms energy: -21.353987 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -33.792223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.792223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.792223 (E_RNA) where: Base-Base interactions energy: -11.532 where: short stacking energy: -11.532 Base-Backbone interact. energy: -0.000 local terms energy: -22.259905 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -2.710 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -36.775632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.775632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.775632 (E_RNA) where: Base-Base interactions energy: -14.183 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.000 local terms energy: -22.592225 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -2.758 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: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -34.209204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.209204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.209204 (E_RNA) where: Base-Base interactions energy: -12.115 where: short stacking energy: -12.115 Base-Backbone interact. energy: -0.021 local terms energy: -22.073796 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.182 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: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -31.024597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.024597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.024597 (E_RNA) where: Base-Base interactions energy: -9.687 where: short stacking energy: -9.687 Base-Backbone interact. energy: -0.000 local terms energy: -21.336882 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.500 flat angles P-C4'-P energy: -4.732 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: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -41.194987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.194987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.194987 (E_RNA) where: Base-Base interactions energy: -16.835 where: short stacking energy: -16.835 Base-Backbone interact. energy: -0.000 local terms energy: -24.359970 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -36.443656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.443656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.443656 (E_RNA) where: Base-Base interactions energy: -14.565 where: short stacking energy: -14.565 Base-Backbone interact. energy: -0.001 local terms energy: -21.876938 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -37.362504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.362504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.362504 (E_RNA) where: Base-Base interactions energy: -11.794 where: short stacking energy: -11.794 Base-Backbone interact. energy: -0.000 local terms energy: -25.568370 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -33.821393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.821393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.821393 (E_RNA) where: Base-Base interactions energy: -12.985 where: short stacking energy: -12.985 Base-Backbone interact. energy: -0.008 local terms energy: -20.828751 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -2.939 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: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -32.428414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.428414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.428414 (E_RNA) where: Base-Base interactions energy: -16.230 where: short stacking energy: -15.376 Base-Backbone interact. energy: -0.163 local terms energy: -16.035487 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -34.939321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939321 (E_RNA) where: Base-Base interactions energy: -12.126 where: short stacking energy: -12.126 Base-Backbone interact. energy: -0.029 local terms energy: -22.784897 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -30.768405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.768405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.768405 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.029 local terms energy: -22.807068 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -4.073 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: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -31.542738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.542738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.542738 (E_RNA) where: Base-Base interactions energy: -12.257 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.122 local terms energy: -19.163055 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -5.057 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: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -32.163845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.163845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.163845 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.016 local terms energy: -18.689879 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -2.990 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: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -33.541932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.541932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.541932 (E_RNA) where: Base-Base interactions energy: -12.990 where: short stacking energy: -12.990 Base-Backbone interact. energy: -0.000 local terms energy: -20.551476 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -3.157 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: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -41.624145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.624145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.624145 (E_RNA) where: Base-Base interactions energy: -14.834 where: short stacking energy: -14.834 Base-Backbone interact. energy: -0.000 local terms energy: -26.789775 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -39.454387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.454387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.454387 (E_RNA) where: Base-Base interactions energy: -16.665 where: short stacking energy: -16.665 Base-Backbone interact. energy: -0.005 local terms energy: -22.784596 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -35.410833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410833 (E_RNA) where: Base-Base interactions energy: -13.966 where: short stacking energy: -13.966 Base-Backbone interact. energy: -0.002 local terms energy: -21.443190 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -37.805872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.805872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.805872 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.000 local terms energy: -24.554210 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -3.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -34.810482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.810482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.810482 (E_RNA) where: Base-Base interactions energy: -11.815 where: short stacking energy: -11.815 Base-Backbone interact. energy: -0.000 local terms energy: -22.995379 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -4.660 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: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -38.022543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.022543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.022543 (E_RNA) where: Base-Base interactions energy: -12.916 where: short stacking energy: -12.916 Base-Backbone interact. energy: -0.000 local terms energy: -25.106604 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -29.083657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.083657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.083657 (E_RNA) where: Base-Base interactions energy: -8.483 where: short stacking energy: -8.483 Base-Backbone interact. energy: -0.029 local terms energy: -20.571912 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -3.682 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: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -31.825384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.825384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.825384 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.008 local terms energy: -21.498563 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -3.893 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: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -30.137064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.137064 (E_RNA) where: Base-Base interactions energy: -8.525 where: short stacking energy: -8.525 Base-Backbone interact. energy: -0.008 local terms energy: -21.604787 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -2.816 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: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -30.711233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.711233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.711233 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.077 local terms energy: -22.815812 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -42.324591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.324591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.324591 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.000 local terms energy: -25.524633 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -38.643810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.643810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.643810 (E_RNA) where: Base-Base interactions energy: -18.130 where: short stacking energy: -18.130 Base-Backbone interact. energy: -0.103 local terms energy: -20.411196 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -3.491 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: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -41.101215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.101215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.101215 (E_RNA) where: Base-Base interactions energy: -13.141 where: short stacking energy: -13.141 Base-Backbone interact. energy: -0.000 local terms energy: -27.959847 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -33.806888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.806888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.806888 (E_RNA) where: Base-Base interactions energy: -12.355 where: short stacking energy: -12.355 Base-Backbone interact. energy: -0.038 local terms energy: -21.414651 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -35.690694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690694 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.083 local terms energy: -22.880213 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -4.820 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: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -28.179402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.179402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.179402 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.032 local terms energy: -17.148279 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -3.718 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -31.537698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.537698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.537698 (E_RNA) where: Base-Base interactions energy: -7.675 where: short stacking energy: -7.675 Base-Backbone interact. energy: -0.001 local terms energy: -23.862254 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -30.229323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.229323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.229323 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.001 local terms energy: -21.438896 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -5.393 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: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -32.951568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.951568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.951568 (E_RNA) where: Base-Base interactions energy: -14.830 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.001 local terms energy: -18.120461 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.646 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -30.311643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.311643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.311643 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.000 local terms energy: -21.972426 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -39.714317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.714317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.714317 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -14.904 Base-Backbone interact. energy: -0.001 local terms energy: -24.808983 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -4.835 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: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -38.840652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.840652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.840652 (E_RNA) where: Base-Base interactions energy: -14.735 where: short stacking energy: -14.735 Base-Backbone interact. energy: -0.000 local terms energy: -24.105864 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -41.559492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.559492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.559492 (E_RNA) where: Base-Base interactions energy: -16.514 where: short stacking energy: -16.514 Base-Backbone interact. energy: -0.000 local terms energy: -25.045678 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -37.563718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.563718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.563718 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -13.922 Base-Backbone interact. energy: -0.020 local terms energy: -23.621588 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -3.351 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: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -37.875539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.875539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.875539 (E_RNA) where: Base-Base interactions energy: -13.099 where: short stacking energy: -13.099 Base-Backbone interact. energy: -0.000 local terms energy: -24.776218 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -30.918317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.918317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.918317 (E_RNA) where: Base-Base interactions energy: -8.497 where: short stacking energy: -8.497 Base-Backbone interact. energy: -0.000 local terms energy: -22.421276 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -32.902598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.902598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.902598 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -12.472 Base-Backbone interact. energy: -0.125 local terms energy: -20.305515 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -30.685008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.685008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.685008 (E_RNA) where: Base-Base interactions energy: -9.877 where: short stacking energy: -9.877 Base-Backbone interact. energy: -0.014 local terms energy: -20.794093 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -1.975 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: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -25.757138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.757138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.757138 (E_RNA) where: Base-Base interactions energy: -7.387 where: short stacking energy: -7.387 Base-Backbone interact. energy: -0.000 local terms energy: -18.369583 where: bonds (distance) C4'-P energy: -3.217 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -26.168552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.168552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.168552 (E_RNA) where: Base-Base interactions energy: -5.838 where: short stacking energy: -5.838 Base-Backbone interact. energy: -0.000 local terms energy: -20.330114 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.367 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: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -38.426598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.426598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.426598 (E_RNA) where: Base-Base interactions energy: -12.073 where: short stacking energy: -12.073 Base-Backbone interact. energy: -1.057 local terms energy: -25.296157 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.060 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: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -39.912079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.912079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.912079 (E_RNA) where: Base-Base interactions energy: -17.357 where: short stacking energy: -17.357 Base-Backbone interact. energy: -0.000 local terms energy: -22.554558 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.425 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: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -36.180589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.180589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.180589 (E_RNA) where: Base-Base interactions energy: -15.518 where: short stacking energy: -15.518 Base-Backbone interact. energy: -0.150 local terms energy: -20.513015 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -2.240 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: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -37.980648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.980648 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.008 local terms energy: -23.294894 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -5.241 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: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -34.650463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.650463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.650463 (E_RNA) where: Base-Base interactions energy: -12.456 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.004 local terms energy: -22.190203 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.224 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: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -35.262846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.262846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.262846 (E_RNA) where: Base-Base interactions energy: -11.833 where: short stacking energy: -11.833 Base-Backbone interact. energy: -0.068 local terms energy: -23.362007 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -36.801022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.801022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.801022 (E_RNA) where: Base-Base interactions energy: -13.091 where: short stacking energy: -13.091 Base-Backbone interact. energy: -0.002 local terms energy: -23.708286 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -31.644402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644402 (E_RNA) where: Base-Base interactions energy: -8.873 where: short stacking energy: -8.873 Base-Backbone interact. energy: -0.009 local terms energy: -22.762178 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -4.820 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: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -34.643723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.643723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.643723 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -14.775 Base-Backbone interact. energy: -0.001 local terms energy: -19.867999 where: bonds (distance) C4'-P energy: -4.153 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -2.316 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: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -32.052909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.052909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.052909 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: -0.061 local terms energy: -22.228616 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -37.458876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.458876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.458876 (E_RNA) where: Base-Base interactions energy: -12.711 where: short stacking energy: -12.711 Base-Backbone interact. energy: -0.001 local terms energy: -24.746569 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -38.432734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.432734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.432734 (E_RNA) where: Base-Base interactions energy: -13.881 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.000 local terms energy: -24.551309 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -37.210018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.210018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.210018 (E_RNA) where: Base-Base interactions energy: -13.170 where: short stacking energy: -13.170 Base-Backbone interact. energy: -0.000 local terms energy: -24.040107 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -1.636 tors. eta vs tors. theta energy: -5.318 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: 194 Temperature: 1.050000 Total energy: -35.524575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.524575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.524575 (E_RNA) where: Base-Base interactions energy: -15.798 where: short stacking energy: -15.798 Base-Backbone interact. energy: -0.064 local terms energy: -19.662894 where: bonds (distance) C4'-P energy: -2.393 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -31.604310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.604310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.604310 (E_RNA) where: Base-Base interactions energy: -9.021 where: short stacking energy: -9.021 Base-Backbone interact. energy: -0.005 local terms energy: -22.578032 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.330 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: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -37.947119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.947119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.947119 (E_RNA) where: Base-Base interactions energy: -16.596 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.011 local terms energy: -21.340623 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -28.335405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.335405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.335405 (E_RNA) where: Base-Base interactions energy: -11.453 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.002 local terms energy: -16.880007 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -1.334 flat angles P-C4'-P energy: -1.098 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -32.758605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758605 (E_RNA) where: Base-Base interactions energy: -11.293 where: short stacking energy: -11.293 Base-Backbone interact. energy: -0.020 local terms energy: -21.445169 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -28.463870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.463870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.463870 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.005 local terms energy: -20.473768 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: 0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -31.061158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.061158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.061158 (E_RNA) where: Base-Base interactions energy: -11.640 where: short stacking energy: -11.640 Base-Backbone interact. energy: -0.014 local terms energy: -19.407695 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -4.647 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: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -36.622832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.622832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.622832 (E_RNA) where: Base-Base interactions energy: -12.330 where: short stacking energy: -12.330 Base-Backbone interact. energy: -0.000 local terms energy: -24.293063 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -36.935993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.935993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.935993 (E_RNA) where: Base-Base interactions energy: -11.852 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.057 local terms energy: -25.027029 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -37.131580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.131580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.131580 (E_RNA) where: Base-Base interactions energy: -13.683 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.037 local terms energy: -23.411510 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.636 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: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -38.309494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.309494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.309494 (E_RNA) where: Base-Base interactions energy: -15.285 where: short stacking energy: -15.285 Base-Backbone interact. energy: -0.000 local terms energy: -23.024408 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -33.505909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.505909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.505909 (E_RNA) where: Base-Base interactions energy: -9.228 where: short stacking energy: -9.228 Base-Backbone interact. energy: -0.078 local terms energy: -24.199965 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.433 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: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -35.921820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.921820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.921820 (E_RNA) where: Base-Base interactions energy: -11.589 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.352 local terms energy: -23.980781 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -34.647292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.647292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.647292 (E_RNA) where: Base-Base interactions energy: -13.616 where: short stacking energy: -13.616 Base-Backbone interact. energy: -0.000 local terms energy: -21.031111 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -36.531936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.531936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.531936 (E_RNA) where: Base-Base interactions energy: -12.857 where: short stacking energy: -12.857 Base-Backbone interact. energy: -0.000 local terms energy: -23.674374 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -29.698113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.698113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.698113 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.001 local terms energy: -18.065360 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: 0.804 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -30.967309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.967309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.967309 (E_RNA) where: Base-Base interactions energy: -8.375 where: short stacking energy: -8.375 Base-Backbone interact. energy: -0.237 local terms energy: -22.355377 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.372 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: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -41.864172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.864172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.864172 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.000 local terms energy: -27.700871 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -37.171014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.171014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.171014 (E_RNA) where: Base-Base interactions energy: -13.323 where: short stacking energy: -13.323 Base-Backbone interact. energy: -0.000 local terms energy: -23.847743 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -40.051252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.051252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.051252 (E_RNA) where: Base-Base interactions energy: -13.628 where: short stacking energy: -13.628 Base-Backbone interact. energy: -0.011 local terms energy: -26.412120 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -34.416530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.416530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.416530 (E_RNA) where: Base-Base interactions energy: -12.409 where: short stacking energy: -12.409 Base-Backbone interact. energy: -0.020 local terms energy: -21.987543 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -36.004951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.004951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.004951 (E_RNA) where: Base-Base interactions energy: -13.965 where: short stacking energy: -13.965 Base-Backbone interact. energy: -0.005 local terms energy: -22.035197 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -34.748819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.748819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.748819 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.000 local terms energy: -24.136678 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -35.776108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.776108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.776108 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -15.373 Base-Backbone interact. energy: -0.000 local terms energy: -20.403385 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -35.606538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.606538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.606538 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -14.015 Base-Backbone interact. energy: -0.000 local terms energy: -21.591288 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -29.601836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.601836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.601836 (E_RNA) where: Base-Base interactions energy: -9.076 where: short stacking energy: -9.076 Base-Backbone interact. energy: -0.071 local terms energy: -20.454253 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -27.946789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.946789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.946789 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.018 local terms energy: -20.362589 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: 0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -40.802286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.802286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.802286 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -13.148 Base-Backbone interact. energy: -0.008 local terms energy: -27.646336 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -39.347060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.347060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.347060 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -1.318 local terms energy: -25.400315 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -4.679 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: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -41.017150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.017150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.017150 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.605 Base-Backbone interact. energy: -0.000 local terms energy: -22.412213 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -1.901 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: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -41.017972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.017972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.017972 (E_RNA) where: Base-Base interactions energy: -17.134 where: short stacking energy: -17.134 Base-Backbone interact. energy: -0.000 local terms energy: -23.884059 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -4.172 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: 197 Temperature: 1.100000 Total energy: -36.723436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.723436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.723436 (E_RNA) where: Base-Base interactions energy: -15.547 where: short stacking energy: -15.232 Base-Backbone interact. energy: -0.044 local terms energy: -21.132246 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -31.118344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.118344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.118344 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.001 local terms energy: -21.945438 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -1.102 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -34.650607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.650607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.650607 (E_RNA) where: Base-Base interactions energy: -13.817 where: short stacking energy: -13.817 Base-Backbone interact. energy: -0.044 local terms energy: -20.789720 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -2.901 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -31.415786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.415786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.415786 (E_RNA) where: Base-Base interactions energy: -12.400 where: short stacking energy: -12.400 Base-Backbone interact. energy: -0.002 local terms energy: -19.013527 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -1.349 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: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -32.910739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.910739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.910739 (E_RNA) where: Base-Base interactions energy: -11.872 where: short stacking energy: -11.872 Base-Backbone interact. energy: -0.000 local terms energy: -21.038805 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -1.899 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -26.221311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.221311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.221311 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.187 Base-Backbone interact. energy: -0.065 local terms energy: -18.969458 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -2.465 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: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -36.828920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.828920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.828920 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.099 local terms energy: -25.519531 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -4.185 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: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -42.365783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.365783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.365783 (E_RNA) where: Base-Base interactions energy: -13.979 where: short stacking energy: -13.979 Base-Backbone interact. energy: -0.004 local terms energy: -28.383295 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -35.568084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568084 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.083 local terms energy: -21.448803 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -38.356081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.356081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.356081 (E_RNA) where: Base-Base interactions energy: -13.040 where: short stacking energy: -13.040 Base-Backbone interact. energy: -0.000 local terms energy: -25.316445 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -37.979601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.979601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.979601 (E_RNA) where: Base-Base interactions energy: -14.425 where: short stacking energy: -14.425 Base-Backbone interact. energy: -0.002 local terms energy: -23.553257 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -33.976871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.976871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.976871 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.019 local terms energy: -21.589589 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -4.098 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: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -30.008518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.008518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.008518 (E_RNA) where: Base-Base interactions energy: -9.948 where: short stacking energy: -9.948 Base-Backbone interact. energy: -0.000 local terms energy: -20.060368 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -31.926414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.926414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.926414 (E_RNA) where: Base-Base interactions energy: -13.682 where: short stacking energy: -13.682 Base-Backbone interact. energy: -0.141 local terms energy: -18.103285 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -30.434628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.434628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.434628 (E_RNA) where: Base-Base interactions energy: -7.909 where: short stacking energy: -7.909 Base-Backbone interact. energy: -0.000 local terms energy: -22.525346 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -4.313 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: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -30.838125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.838125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.838125 (E_RNA) where: Base-Base interactions energy: -11.388 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.005 local terms energy: -19.445176 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -4.207 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: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -42.545150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.545150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.545150 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.000 local terms energy: -28.145069 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -6.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -38.191543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.191543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.191543 (E_RNA) where: Base-Base interactions energy: -13.344 where: short stacking energy: -13.344 Base-Backbone interact. energy: -0.000 local terms energy: -24.847618 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -39.523460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.523460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.523460 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.001 local terms energy: -25.534085 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -36.733613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.733613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.733613 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.045 local terms energy: -23.964161 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -38.165943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.165943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.165943 (E_RNA) where: Base-Base interactions energy: -12.532 where: short stacking energy: -12.532 Base-Backbone interact. energy: -0.010 local terms energy: -25.623207 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -36.715318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.715318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.715318 (E_RNA) where: Base-Base interactions energy: -14.161 where: short stacking energy: -14.161 Base-Backbone interact. energy: -0.027 local terms energy: -22.527143 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.902 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -28.531538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.531538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.531538 (E_RNA) where: Base-Base interactions energy: -3.695 where: short stacking energy: -3.695 Base-Backbone interact. energy: -0.175 local terms energy: -24.661466 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -32.976513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976513 (E_RNA) where: Base-Base interactions energy: -9.461 where: short stacking energy: -9.461 Base-Backbone interact. energy: -0.013 local terms energy: -23.501871 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -3.981 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: 9, replica: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -26.741782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.741782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.741782 (E_RNA) where: Base-Base interactions energy: -5.489 where: short stacking energy: -5.489 Base-Backbone interact. energy: -0.000 local terms energy: -21.252631 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.392 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: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -30.795058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.795058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.795058 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.072 local terms energy: -20.666319 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -3.974 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: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -44.648013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.648013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.648013 (E_RNA) where: Base-Base interactions energy: -15.629 where: short stacking energy: -15.629 Base-Backbone interact. energy: -0.000 local terms energy: -29.019284 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -39.600974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.600974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.600974 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.001 local terms energy: -25.739994 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -36.805230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.805230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.805230 (E_RNA) where: Base-Base interactions energy: -12.480 where: short stacking energy: -12.480 Base-Backbone interact. energy: -0.099 local terms energy: -24.226327 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -35.057177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.057177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.057177 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.005 local terms energy: -21.980183 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -3.613 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: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -39.475287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.475287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.475287 (E_RNA) where: Base-Base interactions energy: -14.822 where: short stacking energy: -14.822 Base-Backbone interact. energy: -0.016 local terms energy: -24.637856 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -33.535457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535457 (E_RNA) where: Base-Base interactions energy: -11.110 where: short stacking energy: -11.110 Base-Backbone interact. energy: -0.005 local terms energy: -22.420627 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -3.687 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: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -34.626969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.626969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.626969 (E_RNA) where: Base-Base interactions energy: -10.042 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.008 local terms energy: -24.576763 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -28.792074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.792074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.792074 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.001 local terms energy: -21.123627 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -33.515631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515631 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.003 local terms energy: -22.239745 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -29.252175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.252175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.252175 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.108 local terms energy: -18.547794 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.144 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: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -44.623683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.623683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.623683 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -18.017 Base-Backbone interact. energy: -0.000 local terms energy: -26.606846 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -5.290 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: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -37.637429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.637429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.637429 (E_RNA) where: Base-Base interactions energy: -16.497 where: short stacking energy: -16.497 Base-Backbone interact. energy: -0.004 local terms energy: -21.136567 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -33.618321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.618321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.618321 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.583 Base-Backbone interact. energy: -0.186 local terms energy: -23.849769 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -5.010 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: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -34.079906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.079906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.079906 (E_RNA) where: Base-Base interactions energy: -11.581 where: short stacking energy: -11.581 Base-Backbone interact. energy: -0.000 local terms energy: -22.498668 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -35.666102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.666102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.666102 (E_RNA) where: Base-Base interactions energy: -13.405 where: short stacking energy: -13.405 Base-Backbone interact. energy: -0.047 local terms energy: -22.214867 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -1.587 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: 201 Temperature: 1.150000 Total energy: -33.467477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.467477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.467477 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -1.017 local terms energy: -22.219028 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -31.008668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008668 (E_RNA) where: Base-Base interactions energy: -8.124 where: short stacking energy: -8.124 Base-Backbone interact. energy: -0.000 local terms energy: -22.884527 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -3.541 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: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -29.027319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.027319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.027319 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.019 local terms energy: -19.976903 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.021 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: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -29.323659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.323659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.323659 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.010 local terms energy: -21.180631 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -4.810 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.821 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: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -32.207307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.207307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.207307 (E_RNA) where: Base-Base interactions energy: -12.219 where: short stacking energy: -12.219 Base-Backbone interact. energy: -0.000 local terms energy: -19.988148 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.123 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: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -37.705140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.705140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.705140 (E_RNA) where: Base-Base interactions energy: -13.317 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.034 local terms energy: -24.354041 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -39.313720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.313720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.313720 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.000 local terms energy: -24.559125 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -41.732640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.732640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.732640 (E_RNA) where: Base-Base interactions energy: -12.419 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.000 local terms energy: -29.313477 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -34.127019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.127019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.127019 (E_RNA) where: Base-Base interactions energy: -12.643 where: short stacking energy: -12.643 Base-Backbone interact. energy: -0.026 local terms energy: -21.458011 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -2.797 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: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -36.136750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.136750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.136750 (E_RNA) where: Base-Base interactions energy: -11.193 where: short stacking energy: -11.193 Base-Backbone interact. energy: -0.031 local terms energy: -24.913384 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -35.553383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.553383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.553383 (E_RNA) where: Base-Base interactions energy: -13.685 where: short stacking energy: -13.685 Base-Backbone interact. energy: -0.000 local terms energy: -21.867995 where: bonds (distance) C4'-P energy: -2.385 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -35.363123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.363123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.363123 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -13.011 Base-Backbone interact. energy: -0.012 local terms energy: -22.928941 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -32.330827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.330827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.330827 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.000 local terms energy: -18.575485 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -2.073 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: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -29.640369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.640369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.640369 (E_RNA) where: Base-Base interactions energy: -5.527 where: short stacking energy: -5.527 Base-Backbone interact. energy: -0.034 local terms energy: -24.078847 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -25.281473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.281473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.281473 (E_RNA) where: Base-Base interactions energy: -4.144 where: short stacking energy: -4.144 Base-Backbone interact. energy: -0.133 local terms energy: -21.004456 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.157 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: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -37.240739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.240739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.240739 (E_RNA) where: Base-Base interactions energy: -15.379 where: short stacking energy: -15.379 Base-Backbone interact. energy: -0.045 local terms energy: -21.815753 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -35.529686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.529686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.529686 (E_RNA) where: Base-Base interactions energy: -14.947 where: short stacking energy: -14.947 Base-Backbone interact. energy: -0.001 local terms energy: -20.582019 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.662 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -5.334 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: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -35.731831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.731831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.731831 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -12.504 Base-Backbone interact. energy: -0.000 local terms energy: -23.227501 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -1.992 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -31.836514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.836514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.836514 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.059 local terms energy: -23.922038 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -34.000665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.000665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.000665 (E_RNA) where: Base-Base interactions energy: -9.189 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.001 local terms energy: -24.810722 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -5.363 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: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -30.101449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.101449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.101449 (E_RNA) where: Base-Base interactions energy: -9.546 where: short stacking energy: -9.546 Base-Backbone interact. energy: -0.006 local terms energy: -20.549269 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -2.620 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: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -32.454363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.454363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.454363 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.000 local terms energy: -20.937809 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -27.968084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.968084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.968084 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.029 local terms energy: -18.883397 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -31.042554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.042554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.042554 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -7.172 Base-Backbone interact. energy: -0.022 local terms energy: -23.848559 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -3.362 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: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -25.096906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.096906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.096906 (E_RNA) where: Base-Base interactions energy: -7.951 where: short stacking energy: -7.951 Base-Backbone interact. energy: -0.166 local terms energy: -16.979425 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -43.647749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.647749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.647749 (E_RNA) where: Base-Base interactions energy: -16.983 where: short stacking energy: -16.983 Base-Backbone interact. energy: -0.065 local terms energy: -26.599787 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -38.314412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.314412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.314412 (E_RNA) where: Base-Base interactions energy: -13.246 where: short stacking energy: -13.246 Base-Backbone interact. energy: -0.009 local terms energy: -25.059844 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -4.589 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: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -36.998456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.998456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.998456 (E_RNA) where: Base-Base interactions energy: -14.358 where: short stacking energy: -14.358 Base-Backbone interact. energy: 0.312 local terms energy: -22.952441 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.243 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: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -34.101289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.101289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.101289 (E_RNA) where: Base-Base interactions energy: -7.965 where: short stacking energy: -7.965 Base-Backbone interact. energy: -0.010 local terms energy: -26.126453 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -36.725027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.725027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.725027 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.005 local terms energy: -23.442583 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -35.229754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.229754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.229754 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.888 Base-Backbone interact. energy: -0.000 local terms energy: -27.633326 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -35.961094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.961094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.961094 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.402 local terms energy: -22.801682 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -5.020 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: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -31.567586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.567586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.567586 (E_RNA) where: Base-Base interactions energy: -12.934 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.018 local terms energy: -18.616039 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -4.125 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.549 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: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -28.104346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.104346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.104346 (E_RNA) where: Base-Base interactions energy: -6.720 where: short stacking energy: -6.720 Base-Backbone interact. energy: -0.008 local terms energy: -21.375428 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -30.725616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725616 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.145 local terms energy: -18.968846 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -38.340745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.340745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.340745 (E_RNA) where: Base-Base interactions energy: -16.817 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.002 local terms energy: -21.521808 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -36.052151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.052151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.052151 (E_RNA) where: Base-Base interactions energy: -12.551 where: short stacking energy: -12.551 Base-Backbone interact. energy: -0.027 local terms energy: -23.474104 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -35.517290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.517290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.517290 (E_RNA) where: Base-Base interactions energy: -13.318 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.000 local terms energy: -22.199091 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -38.769359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.769359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.769359 (E_RNA) where: Base-Base interactions energy: -16.526 where: short stacking energy: -16.526 Base-Backbone interact. energy: -0.000 local terms energy: -22.243101 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -3.765 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -35.053213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.053213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.053213 (E_RNA) where: Base-Base interactions energy: -13.896 where: short stacking energy: -13.896 Base-Backbone interact. energy: 0.057 local terms energy: -21.214472 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.850 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: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -34.511728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.511728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.511728 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.044 local terms energy: -20.705701 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -2.430 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: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -30.072981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.072981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.072981 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.007 local terms energy: -16.555835 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -30.783597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.783597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.783597 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -9.203 Base-Backbone interact. energy: -0.000 local terms energy: -21.580360 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.219 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: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -32.149844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.149844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.149844 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.146 local terms energy: -23.303482 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -3.706 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: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -27.909053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.909053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.909053 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: -5.450 Base-Backbone interact. energy: 0.096 local terms energy: -22.555266 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -4.465 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: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -41.766674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.766674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.766674 (E_RNA) where: Base-Base interactions energy: -17.590 where: short stacking energy: -17.590 Base-Backbone interact. energy: -0.002 local terms energy: -24.175512 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -39.970942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.970942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.970942 (E_RNA) where: Base-Base interactions energy: -15.483 where: short stacking energy: -15.483 Base-Backbone interact. energy: -0.649 local terms energy: -23.839022 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -33.378208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.378208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.378208 (E_RNA) where: Base-Base interactions energy: -9.084 where: short stacking energy: -9.084 Base-Backbone interact. energy: -0.007 local terms energy: -24.287484 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -5.187 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: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -37.259820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.259820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.259820 (E_RNA) where: Base-Base interactions energy: -13.210 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.000 local terms energy: -24.049473 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -34.190347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.190347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.190347 (E_RNA) where: Base-Base interactions energy: -10.274 where: short stacking energy: -10.274 Base-Backbone interact. energy: -0.010 local terms energy: -23.906476 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.649 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: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -35.270148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.270148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.270148 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.004 local terms energy: -21.930373 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -4.376 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: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -32.461146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.461146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.461146 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.167 local terms energy: -20.642558 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.273 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: 0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -39.905550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.905550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.905550 (E_RNA) where: Base-Base interactions energy: -14.791 where: short stacking energy: -14.791 Base-Backbone interact. energy: -0.000 local terms energy: -25.114658 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -29.490629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.490629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.490629 (E_RNA) where: Base-Base interactions energy: -8.861 where: short stacking energy: -9.329 Base-Backbone interact. energy: -0.024 local terms energy: -20.605422 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -29.815509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.815509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.815509 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.150 local terms energy: -20.830112 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.316 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: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -40.184002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.184002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.184002 (E_RNA) where: Base-Base interactions energy: -14.613 where: short stacking energy: -14.613 Base-Backbone interact. energy: -0.000 local terms energy: -25.570559 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -5.038 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: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -35.643395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.643395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.643395 (E_RNA) where: Base-Base interactions energy: -9.724 where: short stacking energy: -9.724 Base-Backbone interact. energy: -0.073 local terms energy: -25.845746 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -41.870638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.870638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.870638 (E_RNA) where: Base-Base interactions energy: -15.898 where: short stacking energy: -15.898 Base-Backbone interact. energy: -0.000 local terms energy: -25.972249 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.407 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: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -38.557396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.557396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.557396 (E_RNA) where: Base-Base interactions energy: -13.515 where: short stacking energy: -13.515 Base-Backbone interact. energy: -0.000 local terms energy: -25.042417 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -33.791698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.791698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.791698 (E_RNA) where: Base-Base interactions energy: -13.125 where: short stacking energy: -13.125 Base-Backbone interact. energy: -0.000 local terms energy: -20.666845 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -31.054736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.054736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.054736 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.000 local terms energy: -23.866530 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -5.235 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: 7, replica: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -36.269589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.269589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.269589 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -15.161 Base-Backbone interact. energy: -0.008 local terms energy: -21.101057 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -33.917315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.917315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.917315 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -12.472 Base-Backbone interact. energy: -0.074 local terms energy: -21.371147 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.531 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: 9, replica: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -29.490068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.490068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.490068 (E_RNA) where: Base-Base interactions energy: -8.549 where: short stacking energy: -9.749 Base-Backbone interact. energy: -0.013 local terms energy: -20.927895 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -2.819 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: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -29.830499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830499 (E_RNA) where: Base-Base interactions energy: -8.512 where: short stacking energy: -8.512 Base-Backbone interact. energy: -0.001 local terms energy: -21.317664 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -39.240164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.240164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.240164 (E_RNA) where: Base-Base interactions energy: -13.381 where: short stacking energy: -13.381 Base-Backbone interact. energy: -0.000 local terms energy: -25.859293 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -36.022937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.022937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.022937 (E_RNA) where: Base-Base interactions energy: -13.167 where: short stacking energy: -13.167 Base-Backbone interact. energy: -0.000 local terms energy: -22.855768 where: bonds (distance) C4'-P energy: -3.120 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -37.737238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.737238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.737238 (E_RNA) where: Base-Base interactions energy: -13.181 where: short stacking energy: -13.181 Base-Backbone interact. energy: -0.009 local terms energy: -24.547396 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -36.506324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.506324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.506324 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.098 local terms energy: -22.317002 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -2.896 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: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -33.532461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.532461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.532461 (E_RNA) where: Base-Base interactions energy: -13.031 where: short stacking energy: -13.031 Base-Backbone interact. energy: -0.005 local terms energy: -20.497089 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.151 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: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -32.406339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.406339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.406339 (E_RNA) where: Base-Base interactions energy: -12.333 where: short stacking energy: -12.333 Base-Backbone interact. energy: -0.007 local terms energy: -20.065789 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -30.501176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.501176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.501176 (E_RNA) where: Base-Base interactions energy: -10.593 where: short stacking energy: -10.593 Base-Backbone interact. energy: -0.016 local terms energy: -19.892165 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -2.321 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -29.136600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.136600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.136600 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.051 local terms energy: -18.572454 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -27.182189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.182189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.182189 (E_RNA) where: Base-Base interactions energy: -8.506 where: short stacking energy: -8.506 Base-Backbone interact. energy: -0.054 local terms energy: -18.622120 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -1.155 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: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -29.004955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004955 (E_RNA) where: Base-Base interactions energy: -6.454 where: short stacking energy: -6.454 Base-Backbone interact. energy: -0.009 local terms energy: -22.542274 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -37.526002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.526002 (E_RNA) where: Base-Base interactions energy: -12.613 where: short stacking energy: -12.613 Base-Backbone interact. energy: -0.001 local terms energy: -24.912463 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -40.696995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.696995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.696995 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.607 Base-Backbone interact. energy: -0.106 local terms energy: -26.984416 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -4.362 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -40.545434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.545434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.545434 (E_RNA) where: Base-Base interactions energy: -13.931 where: short stacking energy: -13.931 Base-Backbone interact. energy: -0.090 local terms energy: -26.524804 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -31.529418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.529418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.529418 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -7.753 Base-Backbone interact. energy: -0.000 local terms energy: -23.776661 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -37.855483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.855483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.855483 (E_RNA) where: Base-Base interactions energy: -13.939 where: short stacking energy: -13.939 Base-Backbone interact. energy: -0.001 local terms energy: -23.916083 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -31.767287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.767287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.767287 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.000 local terms energy: -23.140637 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -34.597492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.597492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.597492 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -14.015 Base-Backbone interact. energy: -0.000 local terms energy: -20.582020 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.913 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -2.928 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: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -31.313016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.313016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.313016 (E_RNA) where: Base-Base interactions energy: -9.268 where: short stacking energy: -9.268 Base-Backbone interact. energy: -0.001 local terms energy: -22.043125 where: bonds (distance) C4'-P energy: -4.314 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -39.014423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.014423 (E_RNA) where: Base-Base interactions energy: -16.958 where: short stacking energy: -16.958 Base-Backbone interact. energy: -0.000 local terms energy: -22.056378 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -1.958 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -29.059643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.059643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.059643 (E_RNA) where: Base-Base interactions energy: -9.673 where: short stacking energy: -9.673 Base-Backbone interact. energy: -0.011 local terms energy: -19.375647 where: bonds (distance) C4'-P energy: -3.859 bonds (distance) P-C4' energy: -5.079 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -2.226 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -37.744573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.744573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.744573 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.420 Base-Backbone interact. energy: -1.259 local terms energy: -23.173762 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -40.598545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598545 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -17.130 Base-Backbone interact. energy: -0.053 local terms energy: -23.416028 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -4.236 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: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -35.218968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.218968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.218968 (E_RNA) where: Base-Base interactions energy: -14.624 where: short stacking energy: -14.624 Base-Backbone interact. energy: -0.027 local terms energy: -20.567538 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -35.640812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.640812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.640812 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -12.190 Base-Backbone interact. energy: -0.071 local terms energy: -23.379347 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -0.782 tors. eta vs tors. theta energy: -4.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -35.215442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.215442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.215442 (E_RNA) where: Base-Base interactions energy: -13.583 where: short stacking energy: -13.583 Base-Backbone interact. energy: -0.024 local terms energy: -21.608495 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.552 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: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -34.714295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.714295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.714295 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.000 local terms energy: -22.775735 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.949 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -37.029073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.029073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.029073 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.026 local terms energy: -24.192310 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -34.878432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.878432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.878432 (E_RNA) where: Base-Base interactions energy: -14.009 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.023 local terms energy: -20.846399 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -29.412200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.412200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.412200 (E_RNA) where: Base-Base interactions energy: -12.696 where: short stacking energy: -12.696 Base-Backbone interact. energy: -0.016 local terms energy: -16.699531 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -4.275 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -2.088 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: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -24.945581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.945581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.945581 (E_RNA) where: Base-Base interactions energy: -7.319 where: short stacking energy: -7.319 Base-Backbone interact. energy: -0.180 local terms energy: -17.446820 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -43.361784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.361784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.361784 (E_RNA) where: Base-Base interactions energy: -16.670 where: short stacking energy: -16.670 Base-Backbone interact. energy: -0.000 local terms energy: -26.691740 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -36.499353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.499353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.499353 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.013 local terms energy: -23.190893 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.497 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: 211 Temperature: 1.000000 Total energy: -39.113442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113442 (E_RNA) where: Base-Base interactions energy: -13.200 where: short stacking energy: -13.200 Base-Backbone interact. energy: -0.010 local terms energy: -25.904147 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -5.918 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: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -33.916132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.916132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.916132 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.100 local terms energy: -24.520881 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -34.108076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.108076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.108076 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.025 local terms energy: -22.329092 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -2.875 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: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -37.632591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.632591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.632591 (E_RNA) where: Base-Base interactions energy: -15.910 where: short stacking energy: -15.910 Base-Backbone interact. energy: -0.000 local terms energy: -21.722306 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -30.947638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.947638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.947638 (E_RNA) where: Base-Base interactions energy: -9.712 where: short stacking energy: -9.912 Base-Backbone interact. energy: -0.002 local terms energy: -21.233725 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -4.948 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: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -27.353675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.353675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.353675 (E_RNA) where: Base-Base interactions energy: -9.710 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.003 local terms energy: -17.641408 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: 0.365 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -35.313978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.313978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.313978 (E_RNA) where: Base-Base interactions energy: -9.932 where: short stacking energy: -9.932 Base-Backbone interact. energy: -0.001 local terms energy: -25.381198 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -34.455419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.455419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.455419 (E_RNA) where: Base-Base interactions energy: -12.889 where: short stacking energy: -12.889 Base-Backbone interact. energy: -0.000 local terms energy: -21.566042 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -3.880 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: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -34.858934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.858934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.858934 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.098 local terms energy: -25.109052 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -34.905678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.905678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.905678 (E_RNA) where: Base-Base interactions energy: -12.398 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.090 local terms energy: -22.417642 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: 0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -39.474375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.474375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.474375 (E_RNA) where: Base-Base interactions energy: -12.128 where: short stacking energy: -12.128 Base-Backbone interact. energy: -0.001 local terms energy: -27.346038 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -30.379007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.379007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.379007 (E_RNA) where: Base-Base interactions energy: -10.877 where: short stacking energy: -10.877 Base-Backbone interact. energy: -0.283 local terms energy: -19.218604 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.373 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: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -29.928847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.928847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.928847 (E_RNA) where: Base-Base interactions energy: -8.995 where: short stacking energy: -8.995 Base-Backbone interact. energy: -0.044 local terms energy: -20.889542 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.299 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: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -32.467753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.467753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.467753 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.096 local terms energy: -22.666247 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -39.250553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.250553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.250553 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.001 local terms energy: -22.982199 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -3.267 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: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -32.151094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151094 (E_RNA) where: Base-Base interactions energy: -13.553 where: short stacking energy: -13.553 Base-Backbone interact. energy: -0.000 local terms energy: -18.597401 where: bonds (distance) C4'-P energy: -3.345 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.698 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: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -31.319588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319588 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.085 local terms energy: -22.059450 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -29.877878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.877878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.877878 (E_RNA) where: Base-Base interactions energy: -8.448 where: short stacking energy: -8.448 Base-Backbone interact. energy: -0.098 local terms energy: -21.331554 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -38.841429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.841429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.841429 (E_RNA) where: Base-Base interactions energy: -13.875 where: short stacking energy: -13.875 Base-Backbone interact. energy: -0.029 local terms energy: -24.937554 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -37.245168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.245168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.245168 (E_RNA) where: Base-Base interactions energy: -14.159 where: short stacking energy: -14.159 Base-Backbone interact. energy: -0.019 local terms energy: -23.067393 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -37.636663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.636663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.636663 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.000 local terms energy: -23.845782 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -4.168 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: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -37.660837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.660837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.660837 (E_RNA) where: Base-Base interactions energy: -11.578 where: short stacking energy: -11.578 Base-Backbone interact. energy: -0.086 local terms energy: -25.996456 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.554 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: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -34.498144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.498144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.498144 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -12.408 Base-Backbone interact. energy: -0.000 local terms energy: -22.089622 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -0.354 tors. eta vs tors. theta energy: -5.172 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: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -37.590166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.590166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.590166 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.027 local terms energy: -21.047613 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.350 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: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -37.722633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.722633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.722633 (E_RNA) where: Base-Base interactions energy: -13.513 where: short stacking energy: -13.513 Base-Backbone interact. energy: -0.009 local terms energy: -24.200495 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.239 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: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -30.241674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.241674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.241674 (E_RNA) where: Base-Base interactions energy: -10.138 where: short stacking energy: -10.138 Base-Backbone interact. energy: -0.100 local terms energy: -20.004423 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -3.746 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: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -28.240934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.240934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.240934 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.013 local terms energy: -17.937911 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -1.059 flat angles P-C4'-P energy: -4.236 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: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -32.002516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.002516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.002516 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: 0.262 local terms energy: -21.227214 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.944 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: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -36.979523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.979523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.979523 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.834 Base-Backbone interact. energy: -0.104 local terms energy: -24.041288 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -35.590042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.590042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.590042 (E_RNA) where: Base-Base interactions energy: -15.219 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.040 local terms energy: -20.331742 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -1.241 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: 3, replica: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -32.987259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.987259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.987259 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.000 local terms energy: -22.741484 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -39.362168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.362168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.362168 (E_RNA) where: Base-Base interactions energy: -16.140 where: short stacking energy: -16.140 Base-Backbone interact. energy: -0.082 local terms energy: -23.140430 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -35.948844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.948844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.948844 (E_RNA) where: Base-Base interactions energy: -12.778 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.003 local terms energy: -23.167751 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -30.676871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.676871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.676871 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.817 local terms energy: -20.068893 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -3.495 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: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -34.509176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.509176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.509176 (E_RNA) where: Base-Base interactions energy: -11.750 where: short stacking energy: -11.750 Base-Backbone interact. energy: -0.000 local terms energy: -22.759235 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -3.630 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: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -29.127163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.127163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.127163 (E_RNA) where: Base-Base interactions energy: -8.565 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.052 local terms energy: -20.509857 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -3.581 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: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -27.954268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.954268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.954268 (E_RNA) where: Base-Base interactions energy: -5.703 where: short stacking energy: -5.703 Base-Backbone interact. energy: -0.003 local terms energy: -22.249022 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.849 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: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -28.413651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.413651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.413651 (E_RNA) where: Base-Base interactions energy: -9.357 where: short stacking energy: -9.357 Base-Backbone interact. energy: -0.000 local terms energy: -19.056194 where: bonds (distance) C4'-P energy: -3.345 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -33.471301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.471301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.471301 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: -0.102 local terms energy: -20.909511 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.917 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: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -42.600023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.600023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.600023 (E_RNA) where: Base-Base interactions energy: -14.041 where: short stacking energy: -14.041 Base-Backbone interact. energy: -0.000 local terms energy: -28.559505 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -5.853 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: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -42.539781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.539781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.539781 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.000 local terms energy: -28.512515 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -5.436 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: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -31.988185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.988185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.988185 (E_RNA) where: Base-Base interactions energy: -9.015 where: short stacking energy: -9.015 Base-Backbone interact. energy: -0.046 local terms energy: -22.927660 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -38.628263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.628263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.628263 (E_RNA) where: Base-Base interactions energy: -15.621 where: short stacking energy: -15.621 Base-Backbone interact. energy: -0.000 local terms energy: -23.006803 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -28.394198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.394198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.394198 (E_RNA) where: Base-Base interactions energy: -8.537 where: short stacking energy: -8.537 Base-Backbone interact. energy: -0.001 local terms energy: -19.855566 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.861 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -31.651597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.651597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.651597 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.001 local terms energy: -19.839311 where: bonds (distance) C4'-P energy: -2.388 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -29.755832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.755832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.755832 (E_RNA) where: Base-Base interactions energy: -10.058 where: short stacking energy: -10.058 Base-Backbone interact. energy: -0.002 local terms energy: -19.695395 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -3.740 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -29.309771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.309771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.309771 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.000 local terms energy: -20.885628 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -2.333 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: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -33.613073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.613073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.613073 (E_RNA) where: Base-Base interactions energy: -16.019 where: short stacking energy: -16.019 Base-Backbone interact. energy: -0.003 local terms energy: -17.590669 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -2.560 flat angles P-C4'-P energy: -2.041 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: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -47.153207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.153207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.153207 (E_RNA) where: Base-Base interactions energy: -17.970 where: short stacking energy: -17.970 Base-Backbone interact. energy: -0.000 local terms energy: -29.182771 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -41.834516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.834516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.834516 (E_RNA) where: Base-Base interactions energy: -15.607 where: short stacking energy: -15.607 Base-Backbone interact. energy: -0.001 local terms energy: -26.226121 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -34.745709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.745709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.745709 (E_RNA) where: Base-Base interactions energy: -13.609 where: short stacking energy: -13.609 Base-Backbone interact. energy: -0.093 local terms energy: -21.044144 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.924 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: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -40.628252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.628252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.628252 (E_RNA) where: Base-Base interactions energy: -18.348 where: short stacking energy: -18.348 Base-Backbone interact. energy: -0.017 local terms energy: -22.263419 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -1.615 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: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -35.021562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.021562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.021562 (E_RNA) where: Base-Base interactions energy: -13.176 where: short stacking energy: -13.176 Base-Backbone interact. energy: -0.002 local terms energy: -21.844246 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -34.454897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.454897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.454897 (E_RNA) where: Base-Base interactions energy: -14.170 where: short stacking energy: -11.441 Base-Backbone interact. energy: -0.321 local terms energy: -19.963853 where: bonds (distance) C4'-P energy: -3.563 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -34.385380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385380 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.000 local terms energy: -23.248176 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -30.818607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.818607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.818607 (E_RNA) where: Base-Base interactions energy: -8.491 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.008 local terms energy: -22.319758 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -31.535587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.535587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.535587 (E_RNA) where: Base-Base interactions energy: -10.763 where: short stacking energy: -10.763 Base-Backbone interact. energy: -0.000 local terms energy: -20.772593 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.383 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: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -27.627960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.627960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.627960 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -6.757 Base-Backbone interact. energy: -0.000 local terms energy: -20.009521 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -1.292 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: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -38.916631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.916631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.916631 (E_RNA) where: Base-Base interactions energy: -17.799 where: short stacking energy: -17.799 Base-Backbone interact. energy: -0.000 local terms energy: -21.117515 where: bonds (distance) C4'-P energy: -4.110 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -36.140190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.140190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.140190 (E_RNA) where: Base-Base interactions energy: -14.745 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.090 local terms energy: -21.305529 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -2.677 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: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -37.464827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.464827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.464827 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -14.268 Base-Backbone interact. energy: -0.016 local terms energy: -23.181204 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -40.178104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.178104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.178104 (E_RNA) where: Base-Base interactions energy: -14.499 where: short stacking energy: -14.499 Base-Backbone interact. energy: -0.000 local terms energy: -25.678790 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -34.673639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.673639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.673639 (E_RNA) where: Base-Base interactions energy: -8.977 where: short stacking energy: -9.154 Base-Backbone interact. energy: -0.034 local terms energy: -25.662776 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -35.288187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.288187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.288187 (E_RNA) where: Base-Base interactions energy: -14.249 where: short stacking energy: -14.249 Base-Backbone interact. energy: -0.094 local terms energy: -20.944748 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.006 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: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -31.663700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.663700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.663700 (E_RNA) where: Base-Base interactions energy: -5.196 where: short stacking energy: -5.196 Base-Backbone interact. energy: -0.001 local terms energy: -26.466022 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -30.426629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.426629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.426629 (E_RNA) where: Base-Base interactions energy: -10.523 where: short stacking energy: -10.523 Base-Backbone interact. energy: -0.008 local terms energy: -19.894871 where: bonds (distance) C4'-P energy: -3.762 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.216 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: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -27.295227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.295227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.295227 (E_RNA) where: Base-Base interactions energy: -9.059 where: short stacking energy: -9.059 Base-Backbone interact. energy: -0.072 local terms energy: -18.164777 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: 0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -31.343233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.343233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.343233 (E_RNA) where: Base-Base interactions energy: -11.607 where: short stacking energy: -11.607 Base-Backbone interact. energy: -0.001 local terms energy: -19.735484 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.429 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: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -38.473371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.473371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.473371 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.000 local terms energy: -24.633131 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -42.645575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.645575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.645575 (E_RNA) where: Base-Base interactions energy: -15.942 where: short stacking energy: -14.294 Base-Backbone interact. energy: -0.495 local terms energy: -26.209124 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -43.552048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.552048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.552048 (E_RNA) where: Base-Base interactions energy: -14.763 where: short stacking energy: -14.763 Base-Backbone interact. energy: -0.000 local terms energy: -28.789317 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -6.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -36.915981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.915981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.915981 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.036 local terms energy: -23.763068 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -36.987184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.987184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.987184 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.000 local terms energy: -25.352788 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -34.064603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.064603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.064603 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.002 local terms energy: -23.786157 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -32.440676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.440676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.440676 (E_RNA) where: Base-Base interactions energy: -13.793 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.050 local terms energy: -18.597353 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -3.114 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: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -30.016295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.016295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.016295 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.000 local terms energy: -21.339149 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -26.708637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.708637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.708637 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.049 local terms energy: -18.578123 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -2.690 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: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -27.815489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.815489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.815489 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.494 Base-Backbone interact. energy: -0.000 local terms energy: -17.321707 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -1.547 flat angles P-C4'-P energy: -2.448 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: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -42.400291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.400291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.400291 (E_RNA) where: Base-Base interactions energy: -17.431 where: short stacking energy: -17.431 Base-Backbone interact. energy: -0.000 local terms energy: -24.968889 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -38.619476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.619476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.619476 (E_RNA) where: Base-Base interactions energy: -12.530 where: short stacking energy: -12.530 Base-Backbone interact. energy: -0.907 local terms energy: -25.182230 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -5.155 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: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -37.946128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.946128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.946128 (E_RNA) where: Base-Base interactions energy: -15.823 where: short stacking energy: -15.823 Base-Backbone interact. energy: -0.003 local terms energy: -22.120622 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -2.973 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -37.742690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.742690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.742690 (E_RNA) where: Base-Base interactions energy: -14.258 where: short stacking energy: -14.258 Base-Backbone interact. energy: -0.002 local terms energy: -23.483452 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -34.964716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.964716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.964716 (E_RNA) where: Base-Base interactions energy: -9.264 where: short stacking energy: -9.264 Base-Backbone interact. energy: -0.099 local terms energy: -25.601068 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -3.605 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: 219 Temperature: 1.150000 Total energy: -30.047757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.047757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.047757 (E_RNA) where: Base-Base interactions energy: -9.514 where: short stacking energy: -9.514 Base-Backbone interact. energy: -0.015 local terms energy: -20.518534 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -0.774 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: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -34.831902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.831902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.831902 (E_RNA) where: Base-Base interactions energy: -10.873 where: short stacking energy: -10.873 Base-Backbone interact. energy: -0.000 local terms energy: -23.958432 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -4.582 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -1.639 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -35.464737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.464737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.464737 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.024 local terms energy: -22.799983 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.403 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -31.767727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.767727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.767727 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.025 local terms energy: -20.706775 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -3.971 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: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -32.269417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.269417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.269417 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.001 local terms energy: -23.238755 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -43.032191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.032191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.032191 (E_RNA) where: Base-Base interactions energy: -16.182 where: short stacking energy: -16.182 Base-Backbone interact. energy: -0.000 local terms energy: -26.850567 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -40.309183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.309183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.309183 (E_RNA) where: Base-Base interactions energy: -17.478 where: short stacking energy: -17.478 Base-Backbone interact. energy: -0.000 local terms energy: -22.831372 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -1.769 tors. eta vs tors. theta energy: -6.032 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: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -40.927109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.927109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.927109 (E_RNA) where: Base-Base interactions energy: -18.216 where: short stacking energy: -18.216 Base-Backbone interact. energy: -0.000 local terms energy: -22.711077 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -34.844219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.844219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.844219 (E_RNA) where: Base-Base interactions energy: -12.026 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.278 local terms energy: -22.540179 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.152 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: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -35.183175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.183175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.183175 (E_RNA) where: Base-Base interactions energy: -11.692 where: short stacking energy: -11.692 Base-Backbone interact. energy: -0.000 local terms energy: -23.491623 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -31.710537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.710537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.710537 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.065 local terms energy: -21.777010 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.046 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: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -34.270026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.270026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.270026 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.000 local terms energy: -24.927744 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -36.059015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.059015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.059015 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -11.717 Base-Backbone interact. energy: -0.003 local terms energy: -24.338637 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.514 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -31.160300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.160300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.160300 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.016 local terms energy: -19.332659 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -3.116 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -28.249733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.249733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.249733 (E_RNA) where: Base-Base interactions energy: -8.450 where: short stacking energy: -8.450 Base-Backbone interact. energy: -0.076 local terms energy: -19.723374 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: 0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -37.278994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.278994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.278994 (E_RNA) where: Base-Base interactions energy: -13.830 where: short stacking energy: -13.830 Base-Backbone interact. energy: -0.022 local terms energy: -23.426748 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -5.712 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: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -36.365295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.365295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.365295 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.001 local terms energy: -21.503695 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -34.312035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.312035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.312035 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.534 local terms energy: -23.631106 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.201 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: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -38.587985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.587985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.587985 (E_RNA) where: Base-Base interactions energy: -16.580 where: short stacking energy: -17.112 Base-Backbone interact. energy: -0.807 local terms energy: -21.200979 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -35.253515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.253515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.253515 (E_RNA) where: Base-Base interactions energy: -14.342 where: short stacking energy: -14.297 Base-Backbone interact. energy: 0.167 local terms energy: -21.078324 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -35.602522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.602522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.602522 (E_RNA) where: Base-Base interactions energy: -17.010 where: short stacking energy: -17.010 Base-Backbone interact. energy: -0.000 local terms energy: -18.592725 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -32.754547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.754547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.754547 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.012 local terms energy: -20.872930 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -33.553370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553370 (E_RNA) where: Base-Base interactions energy: -9.316 where: short stacking energy: -9.316 Base-Backbone interact. energy: -0.100 local terms energy: -24.137469 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -33.828848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828848 (E_RNA) where: Base-Base interactions energy: -12.898 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.000 local terms energy: -20.930189 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -3.221 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -31.770089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.770089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.770089 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.084 local terms energy: -21.678689 where: bonds (distance) C4'-P energy: -1.767 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -40.125028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.125028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.125028 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.026 local terms energy: -26.516934 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -37.415277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.415277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.415277 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.006 local terms energy: -24.857614 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -34.919483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.919483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.919483 (E_RNA) where: Base-Base interactions energy: -11.818 where: short stacking energy: -11.818 Base-Backbone interact. energy: -0.042 local terms energy: -23.059103 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -5.297 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: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -35.796583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.796583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.796583 (E_RNA) where: Base-Base interactions energy: -9.366 where: short stacking energy: -9.366 Base-Backbone interact. energy: -0.021 local terms energy: -26.409554 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -34.586171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.586171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.586171 (E_RNA) where: Base-Base interactions energy: -13.839 where: short stacking energy: -13.839 Base-Backbone interact. energy: -0.001 local terms energy: -20.746337 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -31.984366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.984366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.984366 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.056 local terms energy: -21.929296 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -32.163641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.163641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.163641 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.013 local terms energy: -24.123794 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.491 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: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -34.348494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348494 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.000 local terms energy: -21.761079 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -30.333628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.333628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.333628 (E_RNA) where: Base-Base interactions energy: -10.368 where: short stacking energy: -10.368 Base-Backbone interact. energy: -0.002 local terms energy: -19.963271 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -28.108434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.108434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.108434 (E_RNA) where: Base-Base interactions energy: -10.776 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.087 local terms energy: -17.245131 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: 1.021 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: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -42.333426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.333426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.333426 (E_RNA) where: Base-Base interactions energy: -16.689 where: short stacking energy: -16.689 Base-Backbone interact. energy: -0.000 local terms energy: -25.644191 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -41.366456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.366456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.366456 (E_RNA) where: Base-Base interactions energy: -17.461 where: short stacking energy: -17.461 Base-Backbone interact. energy: -0.004 local terms energy: -23.901340 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -36.519704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.519704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.519704 (E_RNA) where: Base-Base interactions energy: -13.736 where: short stacking energy: -13.736 Base-Backbone interact. energy: -0.000 local terms energy: -22.783911 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -1.419 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -34.151973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.151973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.151973 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.079 local terms energy: -24.564977 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -34.592443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.592443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.592443 (E_RNA) where: Base-Base interactions energy: -12.622 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.000 local terms energy: -21.970580 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.854 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: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -36.630994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.630994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.630994 (E_RNA) where: Base-Base interactions energy: -11.852 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.061 local terms energy: -24.717633 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -35.651651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.651651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.651651 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.001 local terms energy: -23.711193 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -5.188 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: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -36.493808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.493808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.493808 (E_RNA) where: Base-Base interactions energy: -13.882 where: short stacking energy: -13.882 Base-Backbone interact. energy: -0.008 local terms energy: -22.604056 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -2.818 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -29.834242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.834242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.834242 (E_RNA) where: Base-Base interactions energy: -10.352 where: short stacking energy: -10.352 Base-Backbone interact. energy: -0.002 local terms energy: -19.480641 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: 0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -33.633752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.633752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.633752 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.000 local terms energy: -26.105849 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -42.508888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.508888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.508888 (E_RNA) where: Base-Base interactions energy: -17.246 where: short stacking energy: -17.246 Base-Backbone interact. energy: -0.002 local terms energy: -25.260457 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -2.370 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -35.095755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.095755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.095755 (E_RNA) where: Base-Base interactions energy: -10.437 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.087 local terms energy: -24.572483 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.939 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: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -35.827820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.827820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.827820 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.069 local terms energy: -21.712447 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -1.827 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -36.868049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.868049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.868049 (E_RNA) where: Base-Base interactions energy: -14.370 where: short stacking energy: -14.370 Base-Backbone interact. energy: -0.003 local terms energy: -22.495000 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -37.467126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.467126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.467126 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -13.727 Base-Backbone interact. energy: -0.000 local terms energy: -23.384489 where: bonds (distance) C4'-P energy: -4.252 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -37.261620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.261620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.261620 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -10.512 Base-Backbone interact. energy: -0.007 local terms energy: -26.742425 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -30.272027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.272027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.272027 (E_RNA) where: Base-Base interactions energy: -12.295 where: short stacking energy: -12.295 Base-Backbone interact. energy: -0.293 local terms energy: -17.684843 where: bonds (distance) C4'-P energy: -2.818 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: 1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -32.238255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.238255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.238255 (E_RNA) where: Base-Base interactions energy: -12.455 where: short stacking energy: -12.455 Base-Backbone interact. energy: -0.067 local terms energy: -19.716244 where: bonds (distance) C4'-P energy: -3.854 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.990 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -28.961588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.961588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.961588 (E_RNA) where: Base-Base interactions energy: -7.499 where: short stacking energy: -7.499 Base-Backbone interact. energy: -0.000 local terms energy: -21.462839 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -30.744643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.744643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.744643 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.099 local terms energy: -20.446104 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -2.805 flat angles P-C4'-P energy: -3.396 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: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -38.252715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.252715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.252715 (E_RNA) where: Base-Base interactions energy: -16.062 where: short stacking energy: -16.062 Base-Backbone interact. energy: -0.003 local terms energy: -22.187821 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -37.574630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.574630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.574630 (E_RNA) where: Base-Base interactions energy: -13.187 where: short stacking energy: -13.187 Base-Backbone interact. energy: -0.002 local terms energy: -24.385116 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -40.486833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.486833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.486833 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.052 local terms energy: -26.610271 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -36.321006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.321006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.321006 (E_RNA) where: Base-Base interactions energy: -13.889 where: short stacking energy: -13.889 Base-Backbone interact. energy: -0.002 local terms energy: -22.430080 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -33.652381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.652381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.652381 (E_RNA) where: Base-Base interactions energy: -9.525 where: short stacking energy: -9.525 Base-Backbone interact. energy: -0.073 local terms energy: -24.054486 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.499 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: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -27.404184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.404184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.404184 (E_RNA) where: Base-Base interactions energy: -5.372 where: short stacking energy: -5.372 Base-Backbone interact. energy: -0.064 local terms energy: -21.967463 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -4.790 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: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -31.104649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.104649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.104649 (E_RNA) where: Base-Base interactions energy: -10.321 where: short stacking energy: -10.321 Base-Backbone interact. energy: -0.055 local terms energy: -20.728462 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -2.714 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: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -29.593873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593873 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.001 local terms energy: -20.631500 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.371 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: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -30.789573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.789573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.789573 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.030 local terms energy: -17.513024 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -3.279 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -1.981 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: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -31.862925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.862925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.862925 (E_RNA) where: Base-Base interactions energy: -11.638 where: short stacking energy: -11.638 Base-Backbone interact. energy: -0.000 local terms energy: -20.224941 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -40.562942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.562942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.562942 (E_RNA) where: Base-Base interactions energy: -14.620 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.001 local terms energy: -25.942547 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -4.878 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: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -36.392636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.392636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.392636 (E_RNA) where: Base-Base interactions energy: -14.259 where: short stacking energy: -14.259 Base-Backbone interact. energy: -0.045 local terms energy: -22.088415 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -36.968607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.968607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.968607 (E_RNA) where: Base-Base interactions energy: -13.584 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.004 local terms energy: -23.379991 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -39.462931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.462931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.462931 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.001 local terms energy: -25.723871 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -32.163038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.163038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.163038 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -9.063 Base-Backbone interact. energy: -0.154 local terms energy: -20.826446 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -3.559 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: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -30.847060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.847060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.847060 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.001 local terms energy: -21.151905 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.470 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: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -35.217443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.217443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.217443 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.000 local terms energy: -22.501193 where: bonds (distance) C4'-P energy: -3.249 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -29.053214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.053214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.053214 (E_RNA) where: Base-Base interactions energy: -8.624 where: short stacking energy: -8.624 Base-Backbone interact. energy: -0.002 local terms energy: -20.427313 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -4.930 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: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -30.841415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.841415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.841415 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.029 local terms energy: -23.227646 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.324 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: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -34.568037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.568037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.568037 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -12.544 Base-Backbone interact. energy: -0.087 local terms energy: -21.937806 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -2.843 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -39.333646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.333646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.333646 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.131 local terms energy: -25.904332 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -35.559743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559743 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.000 local terms energy: -21.464371 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -2.430 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -36.368681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.368681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.368681 (E_RNA) where: Base-Base interactions energy: -15.430 where: short stacking energy: -15.430 Base-Backbone interact. energy: -0.021 local terms energy: -20.917890 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -31.092193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.092193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.092193 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.050 local terms energy: -21.375735 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -38.522995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.522995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.522995 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -16.480 Base-Backbone interact. energy: -0.000 local terms energy: -22.042752 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -33.529745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.529745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.529745 (E_RNA) where: Base-Base interactions energy: -8.909 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.073 local terms energy: -24.548442 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -32.857799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.857799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.857799 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.001 local terms energy: -21.255854 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -4.488 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -33.086607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086607 (E_RNA) where: Base-Base interactions energy: -14.572 where: short stacking energy: -14.572 Base-Backbone interact. energy: -0.000 local terms energy: -18.514788 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -4.055 flat angles C4'-P-C4' energy: -2.677 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -30.606330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.606330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.606330 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: 0.384 local terms energy: -19.619878 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -1.439 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -33.530454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.530454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.530454 (E_RNA) where: Base-Base interactions energy: -12.677 where: short stacking energy: -12.677 Base-Backbone interact. energy: -0.000 local terms energy: -20.852980 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -35.210735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.210735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.210735 (E_RNA) where: Base-Base interactions energy: -13.033 where: short stacking energy: -13.033 Base-Backbone interact. energy: -0.003 local terms energy: -22.174833 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -39.511688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.511688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.511688 (E_RNA) where: Base-Base interactions energy: -14.473 where: short stacking energy: -14.473 Base-Backbone interact. energy: -0.032 local terms energy: -25.006250 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -36.881985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.881985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.881985 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.016 local terms energy: -24.345404 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -33.714960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.714960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.714960 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.000 local terms energy: -20.737184 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -32.163313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.163313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.163313 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.012 local terms energy: -23.194119 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -30.432767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.432767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.432767 (E_RNA) where: Base-Base interactions energy: -9.362 where: short stacking energy: -9.490 Base-Backbone interact. energy: -0.099 local terms energy: -20.971446 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -30.540154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.540154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.540154 (E_RNA) where: Base-Base interactions energy: -8.780 where: short stacking energy: -8.780 Base-Backbone interact. energy: -0.058 local terms energy: -21.702576 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -30.605648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.605648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.605648 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.014 local terms energy: -21.459201 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -2.757 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -29.232368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.232368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.232368 (E_RNA) where: Base-Base interactions energy: -13.831 where: short stacking energy: -13.831 Base-Backbone interact. energy: -0.057 local terms energy: -15.344044 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -0.234 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -28.576696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.576696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.576696 (E_RNA) where: Base-Base interactions energy: -3.929 where: short stacking energy: -3.929 Base-Backbone interact. energy: -0.000 local terms energy: -24.647693 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.220 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: 1, replica: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -37.647324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647324 (E_RNA) where: Base-Base interactions energy: -15.140 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.064 local terms energy: -22.443603 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -3.134 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: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -39.170471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.170471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.170471 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.000 local terms energy: -26.268145 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.488 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: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -36.576127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.576127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.576127 (E_RNA) where: Base-Base interactions energy: -15.407 where: short stacking energy: -15.407 Base-Backbone interact. energy: -0.000 local terms energy: -21.168816 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -34.634332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.634332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.634332 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.036 local terms energy: -22.908757 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -37.616337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.616337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.616337 (E_RNA) where: Base-Base interactions energy: -12.555 where: short stacking energy: -12.555 Base-Backbone interact. energy: -0.000 local terms energy: -25.060740 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -32.881200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.881200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.881200 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.003 local terms energy: -20.716475 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -29.571547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.571547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.571547 (E_RNA) where: Base-Base interactions energy: -9.512 where: short stacking energy: -9.573 Base-Backbone interact. energy: -0.845 local terms energy: -19.213889 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -0.952 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: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -31.150049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150049 (E_RNA) where: Base-Base interactions energy: -6.159 where: short stacking energy: -6.159 Base-Backbone interact. energy: -0.011 local terms energy: -24.979824 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.223 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: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -29.669562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.669562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.669562 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.001 local terms energy: -20.669616 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -3.329 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: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -25.215994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.215994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.215994 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.003 local terms energy: -16.944827 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.726 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: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -40.353687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.353687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.353687 (E_RNA) where: Base-Base interactions energy: -12.258 where: short stacking energy: -12.258 Base-Backbone interact. energy: -0.000 local terms energy: -28.095103 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -38.814797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.814797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.814797 (E_RNA) where: Base-Base interactions energy: -13.963 where: short stacking energy: -13.963 Base-Backbone interact. energy: -0.000 local terms energy: -24.851604 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -3.645 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: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -39.544380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544380 (E_RNA) where: Base-Base interactions energy: -18.328 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.111 local terms energy: -21.105451 where: bonds (distance) C4'-P energy: -2.766 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.813 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: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -36.429000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.429000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.429000 (E_RNA) where: Base-Base interactions energy: -14.129 where: short stacking energy: -14.129 Base-Backbone interact. energy: -0.481 local terms energy: -21.819336 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.534 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -38.238605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.238605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.238605 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.000 local terms energy: -25.194217 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -30.800538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.800538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.800538 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.469 Base-Backbone interact. energy: 0.470 local terms energy: -22.802288 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -26.674545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.674545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.674545 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.002 local terms energy: -16.270766 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: 2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -31.622152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.622152 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.002 local terms energy: -21.751944 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -1.637 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: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -30.340125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.340125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.340125 (E_RNA) where: Base-Base interactions energy: -11.730 where: short stacking energy: -11.730 Base-Backbone interact. energy: -0.001 local terms energy: -18.608739 where: bonds (distance) C4'-P energy: -3.617 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.121 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: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -30.832917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.832917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.832917 (E_RNA) where: Base-Base interactions energy: -10.842 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.000 local terms energy: -19.990606 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -3.800 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -41.302776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.302776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.302776 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.003 local terms energy: -27.289268 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -6.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -40.713554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713554 (E_RNA) where: Base-Base interactions energy: -17.595 where: short stacking energy: -17.595 Base-Backbone interact. energy: -0.015 local terms energy: -23.103724 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -4.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -38.146635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.146635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.146635 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: 0.053 local terms energy: -26.176764 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -33.019125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019125 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.021 local terms energy: -25.365187 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -32.820322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.820322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.820322 (E_RNA) where: Base-Base interactions energy: -9.293 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.001 local terms energy: -23.526747 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -3.663 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: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -30.374244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.374244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.374244 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -10.501 Base-Backbone interact. energy: -0.073 local terms energy: -19.800035 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -4.755 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: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -32.682522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.682522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.682522 (E_RNA) where: Base-Base interactions energy: -11.886 where: short stacking energy: -11.886 Base-Backbone interact. energy: -0.046 local terms energy: -20.749871 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -2.166 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -33.143371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.143371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.143371 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.000 local terms energy: -23.225458 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -3.436 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: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -32.472207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.472207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.472207 (E_RNA) where: Base-Base interactions energy: -10.905 where: short stacking energy: -10.905 Base-Backbone interact. energy: -0.069 local terms energy: -21.497704 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -2.532 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: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -26.211534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.211534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.211534 (E_RNA) where: Base-Base interactions energy: -7.138 where: short stacking energy: -7.138 Base-Backbone interact. energy: -0.007 local terms energy: -19.066268 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -36.156621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.156621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.156621 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.032 local terms energy: -22.840963 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -2.839 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: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -41.456467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.456467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.456467 (E_RNA) where: Base-Base interactions energy: -16.105 where: short stacking energy: -16.105 Base-Backbone interact. energy: -0.000 local terms energy: -25.351333 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -36.577472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.577472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.577472 (E_RNA) where: Base-Base interactions energy: -15.462 where: short stacking energy: -15.462 Base-Backbone interact. energy: -0.000 local terms energy: -21.115264 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -0.476 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: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -36.619478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.619478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.619478 (E_RNA) where: Base-Base interactions energy: -11.818 where: short stacking energy: -11.818 Base-Backbone interact. energy: -0.005 local terms energy: -24.797041 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -33.073672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.073672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.073672 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.000 local terms energy: -23.051653 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -38.209676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.209676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.209676 (E_RNA) where: Base-Base interactions energy: -13.639 where: short stacking energy: -13.639 Base-Backbone interact. energy: -0.008 local terms energy: -24.562809 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.472 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: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -30.817960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.817960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.817960 (E_RNA) where: Base-Base interactions energy: -8.549 where: short stacking energy: -8.549 Base-Backbone interact. energy: -0.000 local terms energy: -22.268511 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: 0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -29.266349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.266349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.266349 (E_RNA) where: Base-Base interactions energy: -5.573 where: short stacking energy: -5.573 Base-Backbone interact. energy: -0.000 local terms energy: -23.693227 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -26.280147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.280147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.280147 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.000 local terms energy: -18.572348 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -1.881 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -30.414708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.414708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.414708 (E_RNA) where: Base-Base interactions energy: -8.794 where: short stacking energy: -8.794 Base-Backbone interact. energy: -0.000 local terms energy: -21.620408 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -40.662337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.662337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.662337 (E_RNA) where: Base-Base interactions energy: -18.018 where: short stacking energy: -18.018 Base-Backbone interact. energy: -0.000 local terms energy: -22.644761 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -40.682518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.682518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.682518 (E_RNA) where: Base-Base interactions energy: -14.509 where: short stacking energy: -14.509 Base-Backbone interact. energy: -0.000 local terms energy: -26.173372 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -38.866965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.866965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.866965 (E_RNA) where: Base-Base interactions energy: -14.271 where: short stacking energy: -14.271 Base-Backbone interact. energy: -0.009 local terms energy: -24.587030 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -5.106 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: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -34.988607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.988607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.988607 (E_RNA) where: Base-Base interactions energy: -8.406 where: short stacking energy: -8.406 Base-Backbone interact. energy: -0.009 local terms energy: -26.572874 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -37.821009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.821009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.821009 (E_RNA) where: Base-Base interactions energy: -13.753 where: short stacking energy: -13.753 Base-Backbone interact. energy: -0.086 local terms energy: -23.982077 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -35.185867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.185867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.185867 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.000 local terms energy: -25.687532 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -33.629400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.629400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.629400 (E_RNA) where: Base-Base interactions energy: -11.853 where: short stacking energy: -11.853 Base-Backbone interact. energy: -0.002 local terms energy: -21.774431 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -33.936063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.936063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.936063 (E_RNA) where: Base-Base interactions energy: -10.659 where: short stacking energy: -10.659 Base-Backbone interact. energy: -0.000 local terms energy: -23.276539 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -27.273994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.273994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.273994 (E_RNA) where: Base-Base interactions energy: -6.159 where: short stacking energy: -6.159 Base-Backbone interact. energy: -0.080 local terms energy: -21.035166 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.596 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: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -28.502044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.502044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.502044 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.118 local terms energy: -18.442328 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -1.580 flat angles P-C4'-P energy: -3.312 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: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -36.338410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.338410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.338410 (E_RNA) where: Base-Base interactions energy: -13.162 where: short stacking energy: -13.162 Base-Backbone interact. energy: -0.017 local terms energy: -23.158957 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.857 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: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -38.200744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.200744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.200744 (E_RNA) where: Base-Base interactions energy: -13.050 where: short stacking energy: -13.050 Base-Backbone interact. energy: -0.000 local terms energy: -25.149976 where: bonds (distance) C4'-P energy: -3.639 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -35.161655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.161655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.161655 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.003 local terms energy: -25.624437 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -33.956972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.956972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.956972 (E_RNA) where: Base-Base interactions energy: -8.289 where: short stacking energy: -8.289 Base-Backbone interact. energy: -0.040 local terms energy: -25.627253 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -34.204871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.204871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.204871 (E_RNA) where: Base-Base interactions energy: -13.494 where: short stacking energy: -13.498 Base-Backbone interact. energy: -0.089 local terms energy: -20.622293 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -2.904 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: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -34.313120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.313120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.313120 (E_RNA) where: Base-Base interactions energy: -14.037 where: short stacking energy: -14.037 Base-Backbone interact. energy: -0.009 local terms energy: -20.266903 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -33.629208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.629208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.629208 (E_RNA) where: Base-Base interactions energy: -11.301 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.000 local terms energy: -22.327341 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -27.804432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.804432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.804432 (E_RNA) where: Base-Base interactions energy: -4.879 where: short stacking energy: -4.879 Base-Backbone interact. energy: -0.010 local terms energy: -22.914866 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -32.835651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.835651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.835651 (E_RNA) where: Base-Base interactions energy: -7.766 where: short stacking energy: -7.766 Base-Backbone interact. energy: -0.004 local terms energy: -25.065866 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -5.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -30.484463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.484463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.484463 (E_RNA) where: Base-Base interactions energy: -7.445 where: short stacking energy: -7.445 Base-Backbone interact. energy: -0.000 local terms energy: -23.039764 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -41.530078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.530078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.530078 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.000 local terms energy: -29.359445 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -6.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -41.285623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.285623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.285623 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.000 local terms energy: -26.475872 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.727 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: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -39.081750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.081750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.081750 (E_RNA) where: Base-Base interactions energy: -13.322 where: short stacking energy: -13.322 Base-Backbone interact. energy: -0.020 local terms energy: -25.739878 where: bonds (distance) C4'-P energy: -2.414 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -33.839789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.839789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.839789 (E_RNA) where: Base-Base interactions energy: -13.323 where: short stacking energy: -13.323 Base-Backbone interact. energy: -0.001 local terms energy: -20.515668 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -1.289 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -33.756172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.756172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.756172 (E_RNA) where: Base-Base interactions energy: -9.703 where: short stacking energy: -9.703 Base-Backbone interact. energy: -0.004 local terms energy: -24.049672 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.284 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: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -29.035791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.035791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.035791 (E_RNA) where: Base-Base interactions energy: -9.581 where: short stacking energy: -9.581 Base-Backbone interact. energy: -0.098 local terms energy: -19.356471 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -4.771 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: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -31.866077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.866077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.866077 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.034 local terms energy: -23.762447 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -33.507741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.507741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.507741 (E_RNA) where: Base-Base interactions energy: -11.101 where: short stacking energy: -11.101 Base-Backbone interact. energy: -0.578 local terms energy: -21.828913 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -2.852 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -30.039031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.039031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.039031 (E_RNA) where: Base-Base interactions energy: -9.349 where: short stacking energy: -9.349 Base-Backbone interact. energy: -0.006 local terms energy: -20.684212 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -4.396 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: 10, replica: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -29.589395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.589395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.589395 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.000 local terms energy: -20.860160 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.143 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: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -39.894900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.894900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.894900 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.035 local terms energy: -26.120353 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.396 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -36.021222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.021222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.021222 (E_RNA) where: Base-Base interactions energy: -13.313 where: short stacking energy: -13.313 Base-Backbone interact. energy: -0.000 local terms energy: -22.708608 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.539 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: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -31.663424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.663424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.663424 (E_RNA) where: Base-Base interactions energy: -9.429 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.000 local terms energy: -22.233998 where: bonds (distance) C4'-P energy: -4.955 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -2.874 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: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -39.868099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.868099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.868099 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.000 local terms energy: -25.112866 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -3.948 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: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -30.886086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.886086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.886086 (E_RNA) where: Base-Base interactions energy: -7.602 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.018 local terms energy: -23.266076 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -4.138 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: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -33.186955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.186955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.186955 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.053 local terms energy: -21.425579 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -33.241270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.241270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.241270 (E_RNA) where: Base-Base interactions energy: -11.325 where: short stacking energy: -11.325 Base-Backbone interact. energy: -0.021 local terms energy: -21.895167 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -33.628536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.628536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.628536 (E_RNA) where: Base-Base interactions energy: -11.963 where: short stacking energy: -11.963 Base-Backbone interact. energy: -0.071 local terms energy: -21.594765 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -4.006 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: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -28.032863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.032863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.032863 (E_RNA) where: Base-Base interactions energy: -9.026 where: short stacking energy: -9.026 Base-Backbone interact. energy: 0.954 local terms energy: -19.960928 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -33.743869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.743869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.743869 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.000 local terms energy: -22.070984 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -1.846 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -40.298965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.298965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.298965 (E_RNA) where: Base-Base interactions energy: -14.542 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.070 local terms energy: -25.686233 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -32.301830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.301830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.301830 (E_RNA) where: Base-Base interactions energy: -11.037 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.377 local terms energy: -20.887738 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: 1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -33.747536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.747536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.747536 (E_RNA) where: Base-Base interactions energy: -10.251 where: short stacking energy: -10.251 Base-Backbone interact. energy: -0.069 local terms energy: -23.427803 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -34.630412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.630412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.630412 (E_RNA) where: Base-Base interactions energy: -11.544 where: short stacking energy: -11.544 Base-Backbone interact. energy: -0.000 local terms energy: -23.086375 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -4.144 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: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -35.057101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.057101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.057101 (E_RNA) where: Base-Base interactions energy: -14.666 where: short stacking energy: -14.666 Base-Backbone interact. energy: -0.001 local terms energy: -20.389711 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.576 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: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -34.544142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.544142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.544142 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.018 local terms energy: -24.513843 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -28.445103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.445103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.445103 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -9.364 Base-Backbone interact. energy: -0.002 local terms energy: -19.079141 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -2.461 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: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -30.041489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.041489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.041489 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.003 local terms energy: -22.489901 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -28.278079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.278079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.278079 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.001 local terms energy: -19.940137 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -5.404 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: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -27.804902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.804902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.804902 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.002 local terms energy: -16.099703 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -1.502 tors. eta vs tors. theta energy: -0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -41.622716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.622716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.622716 (E_RNA) where: Base-Base interactions energy: -15.503 where: short stacking energy: -15.503 Base-Backbone interact. energy: -0.000 local terms energy: -26.120124 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -36.469455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.469455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.469455 (E_RNA) where: Base-Base interactions energy: -12.622 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.000 local terms energy: -23.846593 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -38.990401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.990401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.990401 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.000 local terms energy: -25.381987 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -38.149308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.149308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.149308 (E_RNA) where: Base-Base interactions energy: -14.438 where: short stacking energy: -14.438 Base-Backbone interact. energy: -0.083 local terms energy: -23.628157 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -4.127 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -36.681471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.681471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.681471 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -13.060 Base-Backbone interact. energy: -0.000 local terms energy: -23.621578 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -32.580726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.580726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.580726 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.000 local terms energy: -22.888292 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.045 flat angles P-C4'-P energy: -5.138 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: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -35.990616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.990616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.990616 (E_RNA) where: Base-Base interactions energy: -14.679 where: short stacking energy: -14.679 Base-Backbone interact. energy: -0.085 local terms energy: -21.226998 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -1.352 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -33.018942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.018942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.018942 (E_RNA) where: Base-Base interactions energy: -11.195 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.072 local terms energy: -21.752487 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -4.796 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: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -31.281429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.281429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.281429 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.080 local terms energy: -21.751269 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -27.296185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.296185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.296185 (E_RNA) where: Base-Base interactions energy: -4.159 where: short stacking energy: -4.179 Base-Backbone interact. energy: -0.002 local terms energy: -23.135261 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -2.212 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: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -42.001808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.001808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.001808 (E_RNA) where: Base-Base interactions energy: -15.992 where: short stacking energy: -15.992 Base-Backbone interact. energy: -0.001 local terms energy: -26.009296 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -36.940140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.940140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.940140 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.017 local terms energy: -25.467029 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -40.162691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.162691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.162691 (E_RNA) where: Base-Base interactions energy: -17.998 where: short stacking energy: -17.998 Base-Backbone interact. energy: -0.004 local terms energy: -22.160007 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -2.178 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -34.042021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.042021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.042021 (E_RNA) where: Base-Base interactions energy: -13.585 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.099 local terms energy: -20.358067 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -1.652 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: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -37.964480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.964480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.964480 (E_RNA) where: Base-Base interactions energy: -13.381 where: short stacking energy: -13.381 Base-Backbone interact. energy: -0.000 local terms energy: -24.583431 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -35.866431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.866431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.866431 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.001 local terms energy: -24.571184 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.144 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: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -30.452737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.452737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.452737 (E_RNA) where: Base-Base interactions energy: -12.313 where: short stacking energy: -12.313 Base-Backbone interact. energy: -0.014 local terms energy: -18.125673 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: 0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -29.388513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.388513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.388513 (E_RNA) where: Base-Base interactions energy: -9.138 where: short stacking energy: -9.138 Base-Backbone interact. energy: -0.000 local terms energy: -20.249864 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -2.435 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: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -32.876149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.876149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.876149 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.090 local terms energy: -19.896038 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -2.499 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: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -30.295948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.295948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.295948 (E_RNA) where: Base-Base interactions energy: -12.274 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.013 local terms energy: -18.009247 where: bonds (distance) C4'-P energy: -2.376 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.634 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: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -42.891567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.891567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.891567 (E_RNA) where: Base-Base interactions energy: -19.071 where: short stacking energy: -19.071 Base-Backbone interact. energy: -0.002 local terms energy: -23.818970 where: bonds (distance) C4'-P energy: -3.510 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -42.380665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.380665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.380665 (E_RNA) where: Base-Base interactions energy: -17.465 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.001 local terms energy: -24.914912 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -40.052598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.052598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.052598 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.000 local terms energy: -22.610064 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -3.846 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -33.634061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.634061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.634061 (E_RNA) where: Base-Base interactions energy: -9.316 where: short stacking energy: -9.316 Base-Backbone interact. energy: -0.002 local terms energy: -24.316605 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.037 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: 5, replica: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -34.331462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.331462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.331462 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.000 local terms energy: -24.668476 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -34.172992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.172992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.172992 (E_RNA) where: Base-Base interactions energy: -11.962 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.111 local terms energy: -22.099566 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -4.017 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: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -35.902172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.902172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.902172 (E_RNA) where: Base-Base interactions energy: -13.760 where: short stacking energy: -13.760 Base-Backbone interact. energy: -0.709 local terms energy: -21.433026 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -4.518 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: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -28.853716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.853716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.853716 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.005 local terms energy: -19.803481 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.218 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: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -27.206611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.206611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.206611 (E_RNA) where: Base-Base interactions energy: -5.501 where: short stacking energy: -5.570 Base-Backbone interact. energy: -0.001 local terms energy: -21.704543 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -32.990740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990740 (E_RNA) where: Base-Base interactions energy: -13.793 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.004 local terms energy: -19.193584 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -2.740 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: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -37.966807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.966807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.966807 (E_RNA) where: Base-Base interactions energy: -16.080 where: short stacking energy: -16.080 Base-Backbone interact. energy: -0.000 local terms energy: -21.886469 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -40.518010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.518010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.518010 (E_RNA) where: Base-Base interactions energy: -13.228 where: short stacking energy: -13.228 Base-Backbone interact. energy: -0.000 local terms energy: -27.289969 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -6.134 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: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -40.398458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.398458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.398458 (E_RNA) where: Base-Base interactions energy: -14.925 where: short stacking energy: -14.925 Base-Backbone interact. energy: -0.002 local terms energy: -25.471061 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -34.570823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.570823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.570823 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: 0.445 local terms energy: -23.112078 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.757 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: 241 Temperature: 1.100000 Total energy: -31.663589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.663589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.663589 (E_RNA) where: Base-Base interactions energy: -9.322 where: short stacking energy: -9.322 Base-Backbone interact. energy: -0.080 local terms energy: -22.261128 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.526 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: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -37.914029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914029 (E_RNA) where: Base-Base interactions energy: -15.965 where: short stacking energy: -15.965 Base-Backbone interact. energy: -0.016 local terms energy: -21.933249 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -31.474523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.474523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.474523 (E_RNA) where: Base-Base interactions energy: -11.992 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.018 local terms energy: -19.465199 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.451 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -2.089 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: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -35.972109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.972109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.972109 (E_RNA) where: Base-Base interactions energy: -14.263 where: short stacking energy: -14.263 Base-Backbone interact. energy: -0.014 local terms energy: -21.694952 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -30.404600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.404600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.404600 (E_RNA) where: Base-Base interactions energy: -9.064 where: short stacking energy: -9.064 Base-Backbone interact. energy: -0.026 local terms energy: -21.315422 where: bonds (distance) C4'-P energy: -2.525 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.294 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: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -29.354232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.354232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.354232 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.000 local terms energy: -21.606662 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -42.839247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.839247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.839247 (E_RNA) where: Base-Base interactions energy: -18.972 where: short stacking energy: -18.972 Base-Backbone interact. energy: -0.000 local terms energy: -23.867285 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -2.909 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -36.004552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.004552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.004552 (E_RNA) where: Base-Base interactions energy: -12.717 where: short stacking energy: -12.717 Base-Backbone interact. energy: -0.050 local terms energy: -23.237735 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -37.006951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.006951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.006951 (E_RNA) where: Base-Base interactions energy: -14.474 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.000 local terms energy: -22.532440 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -2.432 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: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -33.791603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.791603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.791603 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.034 local terms energy: -24.628026 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.078 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: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -32.075947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.075947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.075947 (E_RNA) where: Base-Base interactions energy: -8.852 where: short stacking energy: -8.852 Base-Backbone interact. energy: -0.812 local terms energy: -22.412054 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -33.991094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.991094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.991094 (E_RNA) where: Base-Base interactions energy: -9.311 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.132 local terms energy: -24.548177 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -34.121676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.121676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.121676 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.323 Base-Backbone interact. energy: -0.003 local terms energy: -22.796016 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -30.233590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.233590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.233590 (E_RNA) where: Base-Base interactions energy: -10.019 where: short stacking energy: -10.019 Base-Backbone interact. energy: -0.000 local terms energy: -20.214770 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -3.517 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: 242 Temperature: 1.300000 Total energy: -31.570224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.570224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.570224 (E_RNA) where: Base-Base interactions energy: -8.633 where: short stacking energy: -8.633 Base-Backbone interact. energy: -0.023 local terms energy: -22.915049 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -2.491 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: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -29.075491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.075491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.075491 (E_RNA) where: Base-Base interactions energy: -9.352 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.018 local terms energy: -19.705268 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -2.744 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: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -41.294697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.294697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.294697 (E_RNA) where: Base-Base interactions energy: -14.514 where: short stacking energy: -14.514 Base-Backbone interact. energy: -0.000 local terms energy: -26.781090 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -39.322022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.322022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.322022 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.704 Base-Backbone interact. energy: -0.028 local terms energy: -24.909374 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -39.694795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.694795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.694795 (E_RNA) where: Base-Base interactions energy: -16.687 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.000 local terms energy: -23.007514 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -35.401671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.401671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.401671 (E_RNA) where: Base-Base interactions energy: -14.321 where: short stacking energy: -14.321 Base-Backbone interact. energy: -0.000 local terms energy: -21.080205 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -37.722453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.722453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.722453 (E_RNA) where: Base-Base interactions energy: -16.270 where: short stacking energy: -16.270 Base-Backbone interact. energy: -0.001 local terms energy: -21.450820 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -31.095569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.095569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.095569 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.003 local terms energy: -20.636028 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.714 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: 243 Temperature: 1.200000 Total energy: -31.586523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586523 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.000 local terms energy: -21.310029 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -3.477 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: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -29.396844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.396844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.396844 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.006 local terms energy: -20.484746 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -30.511606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.511606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.511606 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.003 local terms energy: -22.452626 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -31.720421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.720421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.720421 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.075 local terms energy: -18.979702 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.363 flat angles P-C4'-P energy: -4.692 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: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -42.503390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.503390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.503390 (E_RNA) where: Base-Base interactions energy: -17.104 where: short stacking energy: -17.104 Base-Backbone interact. energy: -0.004 local terms energy: -25.395038 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.636 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: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -38.790176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.790176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.790176 (E_RNA) where: Base-Base interactions energy: -16.473 where: short stacking energy: -16.473 Base-Backbone interact. energy: -0.014 local terms energy: -22.302847 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.625 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: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -38.640950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.640950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.640950 (E_RNA) where: Base-Base interactions energy: -13.087 where: short stacking energy: -13.087 Base-Backbone interact. energy: -0.000 local terms energy: -25.553271 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -6.621 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: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -39.616386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.616386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.616386 (E_RNA) where: Base-Base interactions energy: -16.873 where: short stacking energy: -16.873 Base-Backbone interact. energy: -0.031 local terms energy: -22.712595 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: 0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -34.349159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.349159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.349159 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.093 local terms energy: -23.209737 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -33.623257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.623257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.623257 (E_RNA) where: Base-Base interactions energy: -13.163 where: short stacking energy: -13.163 Base-Backbone interact. energy: -0.006 local terms energy: -20.454231 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.143 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -31.935269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935269 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.011 local terms energy: -22.846353 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -3.736 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: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -32.771682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.771682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.771682 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.010 local terms energy: -23.544442 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -27.655041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.655041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.655041 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -6.742 Base-Backbone interact. energy: -0.036 local terms energy: -20.877863 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -2.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -31.859517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.859517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.859517 (E_RNA) where: Base-Base interactions energy: -9.567 where: short stacking energy: -9.567 Base-Backbone interact. energy: -0.000 local terms energy: -22.292592 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: 0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -45.153100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.153100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.153100 (E_RNA) where: Base-Base interactions energy: -17.790 where: short stacking energy: -17.790 Base-Backbone interact. energy: -0.000 local terms energy: -27.363191 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -5.570 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: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -39.042384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.042384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.042384 (E_RNA) where: Base-Base interactions energy: -15.613 where: short stacking energy: -15.613 Base-Backbone interact. energy: -0.000 local terms energy: -23.429525 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.775 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: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -40.523329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.523329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.523329 (E_RNA) where: Base-Base interactions energy: -11.102 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.000 local terms energy: -29.421643 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -6.416 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: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -35.407303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.407303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.407303 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.031 local terms energy: -23.085315 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: 0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -37.693252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.693252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.693252 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.000 local terms energy: -25.528038 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -5.694 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: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -31.535439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.535439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.535439 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: -0.069 local terms energy: -20.552589 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -2.015 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: 7, replica: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -35.356497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.356497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.356497 (E_RNA) where: Base-Base interactions energy: -13.320 where: short stacking energy: -13.320 Base-Backbone interact. energy: -0.001 local terms energy: -22.035473 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -32.853446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.853446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.853446 (E_RNA) where: Base-Base interactions energy: -9.802 where: short stacking energy: -9.802 Base-Backbone interact. energy: -0.000 local terms energy: -23.050918 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.397 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: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -30.916354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.916354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.916354 (E_RNA) where: Base-Base interactions energy: -9.316 where: short stacking energy: -9.316 Base-Backbone interact. energy: -0.010 local terms energy: -21.590734 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -3.886 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: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -25.258982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.258982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.258982 (E_RNA) where: Base-Base interactions energy: -5.834 where: short stacking energy: -5.834 Base-Backbone interact. energy: -0.000 local terms energy: -19.424507 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -5.019 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: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -41.171290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.171290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.171290 (E_RNA) where: Base-Base interactions energy: -13.765 where: short stacking energy: -13.765 Base-Backbone interact. energy: -0.042 local terms energy: -27.364198 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -37.667705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.667705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.667705 (E_RNA) where: Base-Base interactions energy: -13.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.000 local terms energy: -24.664657 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -34.231001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231001 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.000 local terms energy: -25.237823 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -35.395411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.395411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.395411 (E_RNA) where: Base-Base interactions energy: -15.084 where: short stacking energy: -15.084 Base-Backbone interact. energy: -0.006 local terms energy: -20.306230 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -33.145466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.145466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.145466 (E_RNA) where: Base-Base interactions energy: -13.205 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.003 local terms energy: -19.937021 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -2.649 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: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -34.856519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.856519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.856519 (E_RNA) where: Base-Base interactions energy: -15.282 where: short stacking energy: -15.282 Base-Backbone interact. energy: -0.000 local terms energy: -19.574249 where: bonds (distance) C4'-P energy: -2.351 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -4.644 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: 5 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -34.421554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.421554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.421554 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.946 Base-Backbone interact. energy: -1.998 local terms energy: -21.739380 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.223 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: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -34.020481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.020481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.020481 (E_RNA) where: Base-Base interactions energy: -11.278 where: short stacking energy: -11.278 Base-Backbone interact. energy: -0.000 local terms energy: -22.742416 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -4.344 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: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -35.397390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.397390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.397390 (E_RNA) where: Base-Base interactions energy: -12.218 where: short stacking energy: -8.229 Base-Backbone interact. energy: -0.005 local terms energy: -23.174905 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -29.542909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.542909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.542909 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -10.822 Base-Backbone interact. energy: -0.064 local terms energy: -18.656178 where: bonds (distance) C4'-P energy: -2.848 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -41.856757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.856757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.856757 (E_RNA) where: Base-Base interactions energy: -16.406 where: short stacking energy: -16.406 Base-Backbone interact. energy: -0.000 local terms energy: -25.450649 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -42.969494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.969494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.969494 (E_RNA) where: Base-Base interactions energy: -18.002 where: short stacking energy: -18.002 Base-Backbone interact. energy: -0.057 local terms energy: -24.909977 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -38.621161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.621161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.621161 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.000 local terms energy: -24.994664 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -4.084 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: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -35.974897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.974897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.974897 (E_RNA) where: Base-Base interactions energy: -11.966 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.000 local terms energy: -24.008659 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -35.106996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.106996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.106996 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.018 local terms energy: -22.179220 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -34.540512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.540512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.540512 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -12.041 Base-Backbone interact. energy: -0.027 local terms energy: -22.472327 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.589 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: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -32.722076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.722076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.722076 (E_RNA) where: Base-Base interactions energy: -12.549 where: short stacking energy: -12.549 Base-Backbone interact. energy: -0.100 local terms energy: -20.073085 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.725 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: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -36.615729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.615729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.615729 (E_RNA) where: Base-Base interactions energy: -13.664 where: short stacking energy: -13.664 Base-Backbone interact. energy: -0.000 local terms energy: -22.951751 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -2.869 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: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -34.782731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.782731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.782731 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.000 local terms energy: -23.091568 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -28.934201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.934201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.934201 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: -0.011 local terms energy: -20.197851 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -0.867 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: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -41.601919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.601919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.601919 (E_RNA) where: Base-Base interactions energy: -18.119 where: short stacking energy: -18.119 Base-Backbone interact. energy: -0.001 local terms energy: -23.482418 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -2.609 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -38.371998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.371998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.371998 (E_RNA) where: Base-Base interactions energy: -14.399 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.022 local terms energy: -23.951106 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -34.985151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.985151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.985151 (E_RNA) where: Base-Base interactions energy: -12.118 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.107 local terms energy: -22.760339 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: 0.482 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -4.937 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -35.726237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.726237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.726237 (E_RNA) where: Base-Base interactions energy: -12.792 where: short stacking energy: -12.792 Base-Backbone interact. energy: -0.000 local terms energy: -22.933304 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.793 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: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -36.563012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.563012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.563012 (E_RNA) where: Base-Base interactions energy: -15.086 where: short stacking energy: -15.086 Base-Backbone interact. energy: -0.004 local terms energy: -21.472477 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -32.657396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.657396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.657396 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.001 local terms energy: -24.456004 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -32.265458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.265458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.265458 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.006 local terms energy: -18.563501 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -1.093 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: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -29.375890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.375890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.375890 (E_RNA) where: Base-Base interactions energy: -9.371 where: short stacking energy: -9.371 Base-Backbone interact. energy: -0.013 local terms energy: -19.991634 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.501 flat angles P-C4'-P energy: -4.424 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: 248 Temperature: 1.300000 Total energy: -30.040034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040034 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.001 local terms energy: -21.918501 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -3.309 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: 10, replica: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -27.833453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.833453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.833453 (E_RNA) where: Base-Base interactions energy: -9.018 where: short stacking energy: -9.018 Base-Backbone interact. energy: -0.030 local terms energy: -18.785957 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -1.715 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -38.704397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.704397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.704397 (E_RNA) where: Base-Base interactions energy: -13.203 where: short stacking energy: -13.203 Base-Backbone interact. energy: -0.086 local terms energy: -25.415340 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -41.183862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183862 (E_RNA) where: Base-Base interactions energy: -16.855 where: short stacking energy: -16.855 Base-Backbone interact. energy: -0.000 local terms energy: -24.328233 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -4.143 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: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -39.266813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.266813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.266813 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.002 local terms energy: -25.390523 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -35.361885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361885 (E_RNA) where: Base-Base interactions energy: -13.093 where: short stacking energy: -13.093 Base-Backbone interact. energy: -0.001 local terms energy: -22.267285 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -4.356 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: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -29.737806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.737806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.737806 (E_RNA) where: Base-Base interactions energy: -10.603 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.008 local terms energy: -19.126086 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -5.684 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: 1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -31.358050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.358050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.358050 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.044 local terms energy: -23.199023 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -3.888 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: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -32.865729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.865729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.865729 (E_RNA) where: Base-Base interactions energy: -10.928 where: short stacking energy: -10.928 Base-Backbone interact. energy: -0.011 local terms energy: -21.927008 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -4.793 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: 8, replica: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -31.203933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.203933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.203933 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.034 local terms energy: -22.467358 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.987 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: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -28.881874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.881874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.881874 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.095 local terms energy: -20.732808 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -34.096387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.096387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.096387 (E_RNA) where: Base-Base interactions energy: -13.053 where: short stacking energy: -13.053 Base-Backbone interact. energy: -0.100 local terms energy: -20.942568 where: bonds (distance) C4'-P energy: -2.786 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -3.814 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: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -44.022918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.022918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.022918 (E_RNA) where: Base-Base interactions energy: -17.644 where: short stacking energy: -17.644 Base-Backbone interact. energy: -0.000 local terms energy: -26.379065 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -40.943152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.943152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.943152 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.000 local terms energy: -28.353258 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -35.727642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.727642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.727642 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.001 local terms energy: -22.255731 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -37.112574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.112574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.112574 (E_RNA) where: Base-Base interactions energy: -13.695 where: short stacking energy: -13.695 Base-Backbone interact. energy: -0.000 local terms energy: -23.418039 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -34.182518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.182518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.182518 (E_RNA) where: Base-Base interactions energy: -9.937 where: short stacking energy: -9.937 Base-Backbone interact. energy: -0.365 local terms energy: -23.880625 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.756 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: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -35.137578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137578 (E_RNA) where: Base-Base interactions energy: -13.711 where: short stacking energy: -13.784 Base-Backbone interact. energy: -0.000 local terms energy: -21.426329 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.833 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -32.914359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.914359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.914359 (E_RNA) where: Base-Base interactions energy: -12.314 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.032 local terms energy: -20.568524 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -5.127 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: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -32.401414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.401414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.401414 (E_RNA) where: Base-Base interactions energy: -11.607 where: short stacking energy: -11.607 Base-Backbone interact. energy: -0.000 local terms energy: -20.794546 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -3.972 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -2.892 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: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -28.286993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.286993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.286993 (E_RNA) where: Base-Base interactions energy: -4.785 where: short stacking energy: -4.785 Base-Backbone interact. energy: -0.030 local terms energy: -23.471691 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -28.840259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.840259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.840259 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.061 local terms energy: -18.758502 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -41.260058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.260058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.260058 (E_RNA) where: Base-Base interactions energy: -16.958 where: short stacking energy: -16.958 Base-Backbone interact. energy: -0.093 local terms energy: -24.208675 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -39.194478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.194478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.194478 (E_RNA) where: Base-Base interactions energy: -13.262 where: short stacking energy: -13.262 Base-Backbone interact. energy: -0.000 local terms energy: -25.931948 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -37.233619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.233619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.233619 (E_RNA) where: Base-Base interactions energy: -17.909 where: short stacking energy: -17.909 Base-Backbone interact. energy: -0.004 local terms energy: -19.321073 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -1.326 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -36.082780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.082780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.082780 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.446 Base-Backbone interact. energy: -0.068 local terms energy: -24.569119 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -32.305762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.305762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.305762 (E_RNA) where: Base-Base interactions energy: -8.664 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.000 local terms energy: -23.641901 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -32.739085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.739085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.739085 (E_RNA) where: Base-Base interactions energy: -9.799 where: short stacking energy: -9.799 Base-Backbone interact. energy: -0.000 local terms energy: -22.939975 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.310 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: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -37.751366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.751366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.751366 (E_RNA) where: Base-Base interactions energy: -12.649 where: short stacking energy: -12.649 Base-Backbone interact. energy: -0.000 local terms energy: -25.102098 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.477 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -31.637060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.637060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.637060 (E_RNA) where: Base-Base interactions energy: -12.367 where: short stacking energy: -12.367 Base-Backbone interact. energy: -0.000 local terms energy: -19.269977 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.504 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: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -30.838587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.838587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.838587 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -12.143 Base-Backbone interact. energy: -0.041 local terms energy: -18.855139 where: bonds (distance) C4'-P energy: -3.005 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -28.019115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.019115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.019115 (E_RNA) where: Base-Base interactions energy: -7.772 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.000 local terms energy: -20.246580 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -2.584 flat angles P-C4'-P energy: -3.877 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: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -42.372158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.372158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.372158 (E_RNA) where: Base-Base interactions energy: -19.158 where: short stacking energy: -19.158 Base-Backbone interact. energy: -0.000 local terms energy: -23.213979 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -40.735753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.735753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.735753 (E_RNA) where: Base-Base interactions energy: -15.467 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.000 local terms energy: -25.268738 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -38.014757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.014757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.014757 (E_RNA) where: Base-Base interactions energy: -12.012 where: short stacking energy: -12.012 Base-Backbone interact. energy: -0.006 local terms energy: -25.996982 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -38.785466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.785466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.785466 (E_RNA) where: Base-Base interactions energy: -14.815 where: short stacking energy: -14.815 Base-Backbone interact. energy: -0.005 local terms energy: -23.965704 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.500 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: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -36.695548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.695548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.695548 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.000 local terms energy: -22.871121 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -33.198045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.198045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.198045 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.538 Base-Backbone interact. energy: -0.000 local terms energy: -22.659869 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -30.190071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.190071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.190071 (E_RNA) where: Base-Base interactions energy: -8.522 where: short stacking energy: -8.522 Base-Backbone interact. energy: -0.058 local terms energy: -21.609934 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -5.503 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: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -33.660139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.660139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.660139 (E_RNA) where: Base-Base interactions energy: -9.633 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.000 local terms energy: -24.027554 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -30.966390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.966390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.966390 (E_RNA) where: Base-Base interactions energy: -11.031 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.000 local terms energy: -19.934919 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -29.030382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.030382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.030382 (E_RNA) where: Base-Base interactions energy: -9.797 where: short stacking energy: -9.797 Base-Backbone interact. energy: -0.001 local terms energy: -19.232459 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.995 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: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -41.686964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.686964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.686964 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.966 Base-Backbone interact. energy: -0.001 local terms energy: -26.720334 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -41.289310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.289310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.289310 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -13.922 Base-Backbone interact. energy: -0.000 local terms energy: -27.367103 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -5.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -38.599290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.599290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.599290 (E_RNA) where: Base-Base interactions energy: -11.532 where: short stacking energy: -11.532 Base-Backbone interact. energy: -0.002 local terms energy: -27.066259 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -32.582969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.582969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.582969 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.000 local terms energy: -19.888480 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -0.800 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -31.976872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.976872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.976872 (E_RNA) where: Base-Base interactions energy: -10.963 where: short stacking energy: -10.963 Base-Backbone interact. energy: -0.086 local terms energy: -20.928098 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -30.321641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321641 (E_RNA) where: Base-Base interactions energy: -9.928 where: short stacking energy: -9.928 Base-Backbone interact. energy: -0.000 local terms energy: -20.393458 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -30.995318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.995318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.995318 (E_RNA) where: Base-Base interactions energy: -12.250 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.009 local terms energy: -18.735915 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -33.950913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.950913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.950913 (E_RNA) where: Base-Base interactions energy: -11.566 where: short stacking energy: -11.566 Base-Backbone interact. energy: -0.000 local terms energy: -22.385133 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.572 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -27.219780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.219780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.219780 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.146 local terms energy: -19.353622 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.584 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: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -30.783689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.783689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.783689 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.022 local terms energy: -20.404798 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -0.985 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -35.537271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.537271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.537271 (E_RNA) where: Base-Base interactions energy: -13.316 where: short stacking energy: -13.316 Base-Backbone interact. energy: -0.014 local terms energy: -22.206549 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.558 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: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -39.477238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.477238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.477238 (E_RNA) where: Base-Base interactions energy: -16.721 where: short stacking energy: -16.721 Base-Backbone interact. energy: -0.039 local terms energy: -22.716991 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.558 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: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -38.157092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.157092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.157092 (E_RNA) where: Base-Base interactions energy: -14.770 where: short stacking energy: -14.770 Base-Backbone interact. energy: -0.000 local terms energy: -23.386525 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -0.366 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -40.678842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.678842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.678842 (E_RNA) where: Base-Base interactions energy: -13.561 where: short stacking energy: -13.561 Base-Backbone interact. energy: -0.000 local terms energy: -27.117114 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -39.167581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.167581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.167581 (E_RNA) where: Base-Base interactions energy: -13.619 where: short stacking energy: -13.619 Base-Backbone interact. energy: -0.000 local terms energy: -25.548702 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -34.498093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.498093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.498093 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.019 local terms energy: -21.739827 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.825 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: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -36.540590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.540590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.540590 (E_RNA) where: Base-Base interactions energy: -14.627 where: short stacking energy: -14.627 Base-Backbone interact. energy: -0.000 local terms energy: -21.913311 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -30.728604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728604 (E_RNA) where: Base-Base interactions energy: -8.707 where: short stacking energy: -8.707 Base-Backbone interact. energy: -0.003 local terms energy: -22.018768 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -5.381 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: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -30.973202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973202 (E_RNA) where: Base-Base interactions energy: -12.101 where: short stacking energy: -12.101 Base-Backbone interact. energy: -0.003 local terms energy: -18.869795 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -0.655 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -27.981844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.981844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.981844 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.024 local terms energy: -17.601009 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.713 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: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -35.566891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.566891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.566891 (E_RNA) where: Base-Base interactions energy: -10.896 where: short stacking energy: -11.338 Base-Backbone interact. energy: -2.166 local terms energy: -22.505194 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -32.423235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.423235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.423235 (E_RNA) where: Base-Base interactions energy: -9.682 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.105 local terms energy: -22.635789 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.401 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: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -39.152707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.152707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.152707 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -16.737 Base-Backbone interact. energy: -0.088 local terms energy: -22.327585 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -41.061761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.061761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.061761 (E_RNA) where: Base-Base interactions energy: -16.745 where: short stacking energy: -16.745 Base-Backbone interact. energy: -0.000 local terms energy: -24.316558 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -32.867540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.867540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.867540 (E_RNA) where: Base-Base interactions energy: -13.418 where: short stacking energy: -13.418 Base-Backbone interact. energy: -0.000 local terms energy: -19.449169 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -34.618099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.618099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.618099 (E_RNA) where: Base-Base interactions energy: -12.935 where: short stacking energy: -12.935 Base-Backbone interact. energy: -0.000 local terms energy: -21.682947 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -3.613 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.854 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: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -31.986132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.986132 (E_RNA) where: Base-Base interactions energy: -11.945 where: short stacking energy: -11.945 Base-Backbone interact. energy: -0.065 local terms energy: -19.975459 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -2.044 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -35.774900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.774900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.774900 (E_RNA) where: Base-Base interactions energy: -11.544 where: short stacking energy: -11.544 Base-Backbone interact. energy: -0.013 local terms energy: -24.218247 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -3.504 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: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -29.647166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.647166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.647166 (E_RNA) where: Base-Base interactions energy: -6.861 where: short stacking energy: -6.861 Base-Backbone interact. energy: -0.005 local terms energy: -22.781751 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -3.819 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: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -27.241698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.241698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.241698 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: 0.068 local terms energy: -20.159199 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -1.914 flat angles P-C4'-P energy: -5.457 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: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -39.782513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.782513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.782513 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.000 local terms energy: -26.444809 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -35.685354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.685354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.685354 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.011 local terms energy: -21.632260 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.096 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: 3, replica: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -33.893485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.893485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.893485 (E_RNA) where: Base-Base interactions energy: -8.035 where: short stacking energy: -8.035 Base-Backbone interact. energy: -0.004 local terms energy: -25.854128 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -36.166915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.166915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.166915 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.004 local terms energy: -22.176765 where: bonds (distance) C4'-P energy: -1.018 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -34.653605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.653605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.653605 (E_RNA) where: Base-Base interactions energy: -10.268 where: short stacking energy: -10.268 Base-Backbone interact. energy: -0.000 local terms energy: -24.385921 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -32.823031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.823031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.823031 (E_RNA) where: Base-Base interactions energy: -11.085 where: short stacking energy: -11.085 Base-Backbone interact. energy: -0.077 local terms energy: -21.660887 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.094 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -3.526 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: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -31.022086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.022086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.022086 (E_RNA) where: Base-Base interactions energy: -9.245 where: short stacking energy: -9.245 Base-Backbone interact. energy: -0.074 local terms energy: -21.703186 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.539 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: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -29.916425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.916425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.916425 (E_RNA) where: Base-Base interactions energy: -11.923 where: short stacking energy: -11.923 Base-Backbone interact. energy: -0.023 local terms energy: -17.970681 where: bonds (distance) C4'-P energy: -2.446 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -32.506405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.506405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.506405 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: 0.021 local terms energy: -21.223170 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.639 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: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -26.236382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.236382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.236382 (E_RNA) where: Base-Base interactions energy: -6.456 where: short stacking energy: -6.456 Base-Backbone interact. energy: -0.061 local terms energy: -19.719701 where: bonds (distance) C4'-P energy: -3.588 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.612 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: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -39.459336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.459336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.459336 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.000 local terms energy: -26.276014 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -38.844224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.844224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.844224 (E_RNA) where: Base-Base interactions energy: -14.543 where: short stacking energy: -14.543 Base-Backbone interact. energy: -0.000 local terms energy: -24.301645 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.447 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -37.137413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.137413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.137413 (E_RNA) where: Base-Base interactions energy: -16.115 where: short stacking energy: -16.115 Base-Backbone interact. energy: -0.005 local terms energy: -21.017893 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -36.672262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.672262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.672262 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.002 local terms energy: -22.745881 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -37.951988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.951988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.951988 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: 0.598 local terms energy: -26.114957 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -4.534 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: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -33.301341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.301341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.301341 (E_RNA) where: Base-Base interactions energy: -8.061 where: short stacking energy: -8.061 Base-Backbone interact. energy: -0.074 local terms energy: -25.166982 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -34.563537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.563537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.563537 (E_RNA) where: Base-Base interactions energy: -12.133 where: short stacking energy: -12.133 Base-Backbone interact. energy: -0.000 local terms energy: -22.431008 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.469 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: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -32.656727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.656727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.656727 (E_RNA) where: Base-Base interactions energy: -10.662 where: short stacking energy: -10.662 Base-Backbone interact. energy: -0.000 local terms energy: -21.994899 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -32.493373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.493373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.493373 (E_RNA) where: Base-Base interactions energy: -10.869 where: short stacking energy: -10.869 Base-Backbone interact. energy: -0.081 local terms energy: -21.543454 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -3.817 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: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -27.580455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.580455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.580455 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.849 Base-Backbone interact. energy: -0.003 local terms energy: -20.728377 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: 0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -38.475694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.475694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.475694 (E_RNA) where: Base-Base interactions energy: -12.851 where: short stacking energy: -12.851 Base-Backbone interact. energy: -0.000 local terms energy: -25.624810 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -40.487592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.487592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.487592 (E_RNA) where: Base-Base interactions energy: -15.209 where: short stacking energy: -15.209 Base-Backbone interact. energy: -0.000 local terms energy: -25.278339 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -6.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -39.463836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.463836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.463836 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.000 local terms energy: -27.139093 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.365 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: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -37.192447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.192447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.192447 (E_RNA) where: Base-Base interactions energy: -13.197 where: short stacking energy: -13.197 Base-Backbone interact. energy: -0.000 local terms energy: -23.995753 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -32.655989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.655989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.655989 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.187 local terms energy: -20.577755 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -4.667 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: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -35.125531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.125531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.125531 (E_RNA) where: Base-Base interactions energy: -9.861 where: short stacking energy: -9.861 Base-Backbone interact. energy: -0.015 local terms energy: -25.249304 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -27.767836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.767836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.767836 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.000 local terms energy: -20.496449 where: bonds (distance) C4'-P energy: -2.110 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -28.562948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.562948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.562948 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.000 local terms energy: -18.551296 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -0.804 tors. eta vs tors. theta energy: -1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -27.566368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.566368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.566368 (E_RNA) where: Base-Base interactions energy: -5.809 where: short stacking energy: -5.809 Base-Backbone interact. energy: -0.002 local terms energy: -21.756287 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -26.765493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.765493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.765493 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.009 local terms energy: -19.561212 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -41.423563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.423563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.423563 (E_RNA) where: Base-Base interactions energy: -13.745 where: short stacking energy: -13.745 Base-Backbone interact. energy: -0.006 local terms energy: -27.672860 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -37.781484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.781484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.781484 (E_RNA) where: Base-Base interactions energy: -13.326 where: short stacking energy: -13.326 Base-Backbone interact. energy: -0.007 local terms energy: -24.448770 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -4.472 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: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -29.684345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.684345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.684345 (E_RNA) where: Base-Base interactions energy: -9.519 where: short stacking energy: -9.519 Base-Backbone interact. energy: -0.072 local terms energy: -20.094003 where: bonds (distance) C4'-P energy: -3.254 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -37.140507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.140507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.140507 (E_RNA) where: Base-Base interactions energy: -12.678 where: short stacking energy: -12.678 Base-Backbone interact. energy: -0.003 local terms energy: -24.459650 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -4.591 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: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -38.892605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.892605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.892605 (E_RNA) where: Base-Base interactions energy: -14.573 where: short stacking energy: -14.573 Base-Backbone interact. energy: -0.005 local terms energy: -24.314107 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -5.022 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: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -36.410228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.410228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.410228 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.000 local terms energy: -25.576608 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.466 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: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -31.232177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.232177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.232177 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.011 local terms energy: -23.795669 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -38.741834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.741834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.741834 (E_RNA) where: Base-Base interactions energy: -17.629 where: short stacking energy: -17.629 Base-Backbone interact. energy: -0.000 local terms energy: -21.113140 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -3.262 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.705 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: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -29.078594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078594 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.037 local terms energy: -18.594100 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -28.079409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.079409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.079409 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.074 local terms energy: -19.065373 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -1.421 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: 1, replica: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -36.146088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146088 (E_RNA) where: Base-Base interactions energy: -12.859 where: short stacking energy: -12.859 Base-Backbone interact. energy: -0.098 local terms energy: -23.189471 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.610 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: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -39.325647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.325647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.325647 (E_RNA) where: Base-Base interactions energy: -17.401 where: short stacking energy: -17.401 Base-Backbone interact. energy: -0.000 local terms energy: -21.924247 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -35.540389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.540389 (E_RNA) where: Base-Base interactions energy: -11.877 where: short stacking energy: -11.877 Base-Backbone interact. energy: -0.001 local terms energy: -23.662843 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -37.599592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.599592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.599592 (E_RNA) where: Base-Base interactions energy: -12.806 where: short stacking energy: -12.806 Base-Backbone interact. energy: -0.000 local terms energy: -24.793262 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -36.272647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.272647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.272647 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.070 local terms energy: -21.908235 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -29.967865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967865 (E_RNA) where: Base-Base interactions energy: -9.674 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.002 local terms energy: -20.292438 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -33.046221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.046221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.046221 (E_RNA) where: Base-Base interactions energy: -12.405 where: short stacking energy: -12.405 Base-Backbone interact. energy: -0.001 local terms energy: -20.639540 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.595 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: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -30.948710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.948710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.948710 (E_RNA) where: Base-Base interactions energy: -6.721 where: short stacking energy: -6.721 Base-Backbone interact. energy: -0.005 local terms energy: -24.221755 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -31.573843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573843 (E_RNA) where: Base-Base interactions energy: -10.408 where: short stacking energy: -10.408 Base-Backbone interact. energy: -0.081 local terms energy: -21.084997 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -29.241880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.241880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.241880 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.033 local terms energy: -21.359973 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -39.881607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.881607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.881607 (E_RNA) where: Base-Base interactions energy: -17.473 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.001 local terms energy: -22.407661 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -39.658555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.658555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.658555 (E_RNA) where: Base-Base interactions energy: -17.823 where: short stacking energy: -17.823 Base-Backbone interact. energy: -0.010 local terms energy: -21.826204 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.760 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: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -35.047150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.047150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.047150 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: -0.000 local terms energy: -22.342792 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -33.848836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.848836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.848836 (E_RNA) where: Base-Base interactions energy: -11.944 where: short stacking energy: -11.944 Base-Backbone interact. energy: -0.005 local terms energy: -21.899658 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -34.262551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.262551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.262551 (E_RNA) where: Base-Base interactions energy: -13.286 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.000 local terms energy: -20.976203 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -33.856240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.856240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.856240 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -13.922 Base-Backbone interact. energy: -0.069 local terms energy: -19.864457 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.159 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: 0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -32.545348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.545348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.545348 (E_RNA) where: Base-Base interactions energy: -9.716 where: short stacking energy: -9.716 Base-Backbone interact. energy: -0.027 local terms energy: -22.802317 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -2.461 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: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -31.849008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849008 (E_RNA) where: Base-Base interactions energy: -13.746 where: short stacking energy: -13.746 Base-Backbone interact. energy: -0.105 local terms energy: -17.997855 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -1.698 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -31.584479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.584479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.584479 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.000 local terms energy: -24.061110 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.546 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: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -28.547349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.547349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.547349 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: -0.035 local terms energy: -16.052502 where: bonds (distance) C4'-P energy: -2.474 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.464 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: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -42.543913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.543913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.543913 (E_RNA) where: Base-Base interactions energy: -18.540 where: short stacking energy: -18.540 Base-Backbone interact. energy: -0.000 local terms energy: -24.003806 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.960 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: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -37.409943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.409943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.409943 (E_RNA) where: Base-Base interactions energy: -9.091 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.000 local terms energy: -28.319267 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -34.047290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.047290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.047290 (E_RNA) where: Base-Base interactions energy: -8.481 where: short stacking energy: -8.481 Base-Backbone interact. energy: -0.000 local terms energy: -25.565567 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -30.435036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.435036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.435036 (E_RNA) where: Base-Base interactions energy: -9.909 where: short stacking energy: -9.909 Base-Backbone interact. energy: -0.146 local terms energy: -20.379714 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -4.540 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -33.664515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.664515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.664515 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.015 local terms energy: -19.632753 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -2.532 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -33.844554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.844554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.844554 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.013 local terms energy: -21.048402 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -3.587 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -29.658382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658382 (E_RNA) where: Base-Base interactions energy: -5.988 where: short stacking energy: -5.988 Base-Backbone interact. energy: -0.100 local terms energy: -23.569612 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -4.609 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: 262 Temperature: 1.250000 Total energy: -32.103634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.103634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.103634 (E_RNA) where: Base-Base interactions energy: -7.645 where: short stacking energy: -7.645 Base-Backbone interact. energy: -0.004 local terms energy: -24.454575 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -34.948106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.948106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.948106 (E_RNA) where: Base-Base interactions energy: -11.621 where: short stacking energy: -11.621 Base-Backbone interact. energy: -0.004 local terms energy: -23.322794 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -1.343 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -30.568831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.568831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.568831 (E_RNA) where: Base-Base interactions energy: -12.634 where: short stacking energy: -12.634 Base-Backbone interact. energy: -0.000 local terms energy: -17.934922 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -3.051 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -39.108693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.108693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.108693 (E_RNA) where: Base-Base interactions energy: -18.118 where: short stacking energy: -18.118 Base-Backbone interact. energy: -0.002 local terms energy: -20.988917 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -5.088 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: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -34.313450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.313450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.313450 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -12.033 Base-Backbone interact. energy: -0.000 local terms energy: -22.280672 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -33.655355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.655355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.655355 (E_RNA) where: Base-Base interactions energy: -9.501 where: short stacking energy: -9.501 Base-Backbone interact. energy: -0.000 local terms energy: -24.154312 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -5.224 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: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -33.134993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.134993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.134993 (E_RNA) where: Base-Base interactions energy: -9.766 where: short stacking energy: -9.766 Base-Backbone interact. energy: -0.028 local terms energy: -23.341494 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -4.538 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: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -35.357104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.357104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.357104 (E_RNA) where: Base-Base interactions energy: -12.837 where: short stacking energy: -12.837 Base-Backbone interact. energy: -0.005 local terms energy: -22.514773 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -32.291480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.291480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.291480 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.000 local terms energy: -19.701092 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -2.942 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: 7, replica: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -31.375908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.375908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.375908 (E_RNA) where: Base-Base interactions energy: -12.008 where: short stacking energy: -12.008 Base-Backbone interact. energy: -0.000 local terms energy: -19.368015 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: 1.312 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: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -31.425486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.425486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.425486 (E_RNA) where: Base-Base interactions energy: -10.645 where: short stacking energy: -10.645 Base-Backbone interact. energy: -0.011 local terms energy: -20.769544 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.942 flat angles P-C4'-P energy: -5.211 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: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -32.761454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761454 (E_RNA) where: Base-Base interactions energy: -10.381 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.000 local terms energy: -22.380381 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -5.009 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: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -30.436750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.436750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.436750 (E_RNA) where: Base-Base interactions energy: -9.085 where: short stacking energy: -9.085 Base-Backbone interact. energy: -0.037 local terms energy: -21.315120 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.702 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: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -40.714251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.714251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.714251 (E_RNA) where: Base-Base interactions energy: -15.449 where: short stacking energy: -15.449 Base-Backbone interact. energy: -0.000 local terms energy: -25.265538 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -37.372615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.372615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.372615 (E_RNA) where: Base-Base interactions energy: -14.448 where: short stacking energy: -14.448 Base-Backbone interact. energy: -0.012 local terms energy: -22.912583 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -37.892521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.892521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.892521 (E_RNA) where: Base-Base interactions energy: -14.283 where: short stacking energy: -14.283 Base-Backbone interact. energy: -0.000 local terms energy: -23.609277 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -2.971 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: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -42.350780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.350780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.350780 (E_RNA) where: Base-Base interactions energy: -17.521 where: short stacking energy: -17.521 Base-Backbone interact. energy: -0.000 local terms energy: -24.829353 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -33.994754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994754 (E_RNA) where: Base-Base interactions energy: -12.726 where: short stacking energy: -12.726 Base-Backbone interact. energy: -0.099 local terms energy: -21.169594 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -4.231 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: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -33.210243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210243 (E_RNA) where: Base-Base interactions energy: -8.119 where: short stacking energy: -8.119 Base-Backbone interact. energy: -0.000 local terms energy: -25.091067 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -33.227440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.227440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.227440 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.078 local terms energy: -24.118308 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -34.217334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.217334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.217334 (E_RNA) where: Base-Base interactions energy: -9.881 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.074 local terms energy: -24.262322 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.686 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: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -30.136008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.136008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.136008 (E_RNA) where: Base-Base interactions energy: -8.383 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.001 local terms energy: -21.751997 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -31.203210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.203210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.203210 (E_RNA) where: Base-Base interactions energy: -10.406 where: short stacking energy: -10.406 Base-Backbone interact. energy: -0.000 local terms energy: -20.796661 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -1.508 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -45.627175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.627175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.627175 (E_RNA) where: Base-Base interactions energy: -17.721 where: short stacking energy: -17.721 Base-Backbone interact. energy: -0.000 local terms energy: -27.906571 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -7.027 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -42.018467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.018467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.018467 (E_RNA) where: Base-Base interactions energy: -15.554 where: short stacking energy: -15.554 Base-Backbone interact. energy: -0.001 local terms energy: -26.463953 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -42.176633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.176633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.176633 (E_RNA) where: Base-Base interactions energy: -14.508 where: short stacking energy: -14.508 Base-Backbone interact. energy: -0.062 local terms energy: -27.606568 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -38.525845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.525845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.525845 (E_RNA) where: Base-Base interactions energy: -13.042 where: short stacking energy: -13.042 Base-Backbone interact. energy: -0.002 local terms energy: -25.481658 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -36.552931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.552931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.552931 (E_RNA) where: Base-Base interactions energy: -14.106 where: short stacking energy: -14.106 Base-Backbone interact. energy: -1.310 local terms energy: -21.136200 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -29.642566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.642566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.642566 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.054 local terms energy: -19.490098 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -1.187 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -34.914171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.914171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.914171 (E_RNA) where: Base-Base interactions energy: -12.566 where: short stacking energy: -12.566 Base-Backbone interact. energy: -0.000 local terms energy: -22.348434 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.772 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: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -31.505937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.505937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.505937 (E_RNA) where: Base-Base interactions energy: -11.913 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.000 local terms energy: -19.592396 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -29.789617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.789617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.789617 (E_RNA) where: Base-Base interactions energy: -9.289 where: short stacking energy: -9.289 Base-Backbone interact. energy: -0.095 local terms energy: -20.405908 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -5.423 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -3.606 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: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -28.950329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950329 (E_RNA) where: Base-Base interactions energy: -7.208 where: short stacking energy: -7.208 Base-Backbone interact. energy: -0.096 local terms energy: -21.646188 where: bonds (distance) C4'-P energy: -2.286 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -44.547590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.547590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.547590 (E_RNA) where: Base-Base interactions energy: -17.988 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.000 local terms energy: -26.559636 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -7.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -41.504547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.504547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.504547 (E_RNA) where: Base-Base interactions energy: -17.235 where: short stacking energy: -17.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.269591 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -5.232 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: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -41.094878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.094878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.094878 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.000 local terms energy: -27.577965 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -38.560355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.560355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.560355 (E_RNA) where: Base-Base interactions energy: -16.780 where: short stacking energy: -16.780 Base-Backbone interact. energy: -0.001 local terms energy: -21.780027 where: bonds (distance) C4'-P energy: -3.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.404 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -5.201 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: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -29.181527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.181527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.181527 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.004 local terms energy: -19.588547 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -38.568355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.568355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.568355 (E_RNA) where: Base-Base interactions energy: -18.093 where: short stacking energy: -18.093 Base-Backbone interact. energy: -0.000 local terms energy: -20.475523 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -0.065 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -28.006483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.006483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.006483 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.099 local terms energy: -19.334048 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -4.303 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: 8, replica: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -35.226763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.226763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.226763 (E_RNA) where: Base-Base interactions energy: -13.345 where: short stacking energy: -13.345 Base-Backbone interact. energy: -0.000 local terms energy: -21.882113 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -28.368557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.368557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.368557 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -20.346382 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: 0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -30.872522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.872522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.872522 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -0.000 local terms energy: -23.595005 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -44.845992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.845992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.845992 (E_RNA) where: Base-Base interactions energy: -17.017 where: short stacking energy: -17.017 Base-Backbone interact. energy: -0.000 local terms energy: -27.828655 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -6.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -38.627666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.627666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.627666 (E_RNA) where: Base-Base interactions energy: -13.584 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.078 local terms energy: -24.965876 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -33.842370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.842370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.842370 (E_RNA) where: Base-Base interactions energy: -12.344 where: short stacking energy: -12.344 Base-Backbone interact. energy: -0.049 local terms energy: -21.449170 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.345 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: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -34.755283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.755283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.755283 (E_RNA) where: Base-Base interactions energy: -9.332 where: short stacking energy: -9.332 Base-Backbone interact. energy: -0.000 local terms energy: -25.422659 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -32.828724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.828724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.828724 (E_RNA) where: Base-Base interactions energy: -8.743 where: short stacking energy: -8.943 Base-Backbone interact. energy: -1.061 local terms energy: -23.024218 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.772 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: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -32.286361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.286361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.286361 (E_RNA) where: Base-Base interactions energy: -12.428 where: short stacking energy: -12.428 Base-Backbone interact. energy: -0.063 local terms energy: -19.794858 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -3.109 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: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -32.016895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.016895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.016895 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.081 local terms energy: -21.422235 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -2.531 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: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -28.584833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.584833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.584833 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -8.843 Base-Backbone interact. energy: -0.092 local terms energy: -19.649739 where: bonds (distance) C4'-P energy: -3.875 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -27.226564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.226564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.226564 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.011 local terms energy: -18.792022 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -2.861 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.539 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: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -27.366020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.366020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.366020 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.742 Base-Backbone interact. energy: -0.282 local terms energy: -17.342113 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -2.978 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: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -41.181167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.181167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.181167 (E_RNA) where: Base-Base interactions energy: -16.943 where: short stacking energy: -16.943 Base-Backbone interact. energy: -0.000 local terms energy: -24.238266 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -43.678747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.678747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.678747 (E_RNA) where: Base-Base interactions energy: -17.430 where: short stacking energy: -17.430 Base-Backbone interact. energy: -0.000 local terms energy: -26.248497 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -39.228103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.228103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.228103 (E_RNA) where: Base-Base interactions energy: -12.801 where: short stacking energy: -12.801 Base-Backbone interact. energy: -0.520 local terms energy: -25.907263 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -36.359055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.359055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.359055 (E_RNA) where: Base-Base interactions energy: -12.960 where: short stacking energy: -12.960 Base-Backbone interact. energy: -0.013 local terms energy: -23.385395 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -5.195 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: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -32.904011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.904011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.904011 (E_RNA) where: Base-Base interactions energy: -9.110 where: short stacking energy: -9.110 Base-Backbone interact. energy: -0.249 local terms energy: -23.545091 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -4.624 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: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -36.011700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.011700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.011700 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.004 local terms energy: -24.046686 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -34.454638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.454638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.454638 (E_RNA) where: Base-Base interactions energy: -13.524 where: short stacking energy: -13.524 Base-Backbone interact. energy: -0.000 local terms energy: -20.930281 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -32.030532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.030532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.030532 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.021 local terms energy: -22.689546 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.365 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: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -29.294481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294481 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.066 local terms energy: -19.629954 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -3.842 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: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -29.869472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.869472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.869472 (E_RNA) where: Base-Base interactions energy: -5.271 where: short stacking energy: -5.671 Base-Backbone interact. energy: -0.007 local terms energy: -24.591093 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -40.444886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.444886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.444886 (E_RNA) where: Base-Base interactions energy: -17.463 where: short stacking energy: -17.463 Base-Backbone interact. energy: -0.018 local terms energy: -22.964313 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -36.990170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990170 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.039 local terms energy: -24.293839 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.311 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: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -34.389874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.389874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.389874 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.000 local terms energy: -22.450704 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -4.476 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: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -34.561205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.561205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.561205 (E_RNA) where: Base-Base interactions energy: -12.680 where: short stacking energy: -12.680 Base-Backbone interact. energy: -0.000 local terms energy: -21.881483 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -33.731154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.731154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.731154 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.019 local terms energy: -20.991568 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -33.470663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470663 (E_RNA) where: Base-Base interactions energy: -12.821 where: short stacking energy: -12.821 Base-Backbone interact. energy: -0.003 local terms energy: -20.646041 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.233 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.452 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: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -33.706099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.706099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.706099 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: 0.256 local terms energy: -23.171479 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -30.197932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.197932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.197932 (E_RNA) where: Base-Base interactions energy: -10.477 where: short stacking energy: -10.477 Base-Backbone interact. energy: -0.015 local terms energy: -19.705328 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -33.244925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.244925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.244925 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.000 local terms energy: -21.729286 where: bonds (distance) C4'-P energy: -3.705 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -26.385469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.385469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.385469 (E_RNA) where: Base-Base interactions energy: -6.002 where: short stacking energy: -6.002 Base-Backbone interact. energy: -0.185 local terms energy: -20.198261 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -3.942 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: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -36.683181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.683181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.683181 (E_RNA) where: Base-Base interactions energy: -13.909 where: short stacking energy: -13.909 Base-Backbone interact. energy: -0.004 local terms energy: -22.770663 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -4.592 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: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -40.763537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.763537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.763537 (E_RNA) where: Base-Base interactions energy: -16.886 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.000 local terms energy: -23.877378 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -36.858661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.858661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.858661 (E_RNA) where: Base-Base interactions energy: -14.977 where: short stacking energy: -14.977 Base-Backbone interact. energy: -0.007 local terms energy: -21.874825 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.366 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: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -37.677747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.677747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.677747 (E_RNA) where: Base-Base interactions energy: -12.892 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.000 local terms energy: -24.785217 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.489 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -39.606300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.606300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.606300 (E_RNA) where: Base-Base interactions energy: -13.978 where: short stacking energy: -13.978 Base-Backbone interact. energy: -0.000 local terms energy: -25.627714 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -28.554678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.554678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.554678 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.002 local terms energy: -21.147190 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -28.822897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.822897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.822897 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: 0.658 local terms energy: -16.786023 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -2.888 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: 8, replica: 8 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -31.099176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.099176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.099176 (E_RNA) where: Base-Base interactions energy: -9.701 where: short stacking energy: -9.701 Base-Backbone interact. energy: -0.002 local terms energy: -21.396299 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.989 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: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -38.932560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.932560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.932560 (E_RNA) where: Base-Base interactions energy: -11.664 where: short stacking energy: -11.664 Base-Backbone interact. energy: -0.007 local terms energy: -27.261461 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -30.260938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.260938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.260938 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.000 local terms energy: -17.824855 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -2.440 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -44.476389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.476389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.476389 (E_RNA) where: Base-Base interactions energy: -16.860 where: short stacking energy: -16.860 Base-Backbone interact. energy: -0.001 local terms energy: -27.615104 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -36.914420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.914420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.914420 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.000 local terms energy: -24.245021 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.278 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: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -36.038771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.038771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.038771 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.000 local terms energy: -24.849412 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -37.702717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.702717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.702717 (E_RNA) where: Base-Base interactions energy: -16.551 where: short stacking energy: -16.551 Base-Backbone interact. energy: -0.000 local terms energy: -21.151172 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.127 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: 5, replica: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -35.544863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.544863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.544863 (E_RNA) where: Base-Base interactions energy: -13.956 where: short stacking energy: -13.956 Base-Backbone interact. energy: -0.000 local terms energy: -21.588822 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -1.539 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -34.686815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.686815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.686815 (E_RNA) where: Base-Base interactions energy: -13.805 where: short stacking energy: -13.805 Base-Backbone interact. energy: -0.001 local terms energy: -20.880488 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -3.018 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: 7, replica: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -32.707286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.707286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.707286 (E_RNA) where: Base-Base interactions energy: -11.101 where: short stacking energy: -11.101 Base-Backbone interact. energy: -0.000 local terms energy: -21.606588 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.212 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: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -31.428450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.428450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.428450 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.000 local terms energy: -24.289121 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -33.963247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.963247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.963247 (E_RNA) where: Base-Base interactions energy: -10.544 where: short stacking energy: -10.544 Base-Backbone interact. energy: -0.098 local terms energy: -23.320780 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -27.923877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.923877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.923877 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.247 Base-Backbone interact. energy: -0.002 local terms energy: -21.675362 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -2.124 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -37.405684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.405684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.405684 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.511 local terms energy: -24.152445 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -35.554141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.554141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.554141 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.415 Base-Backbone interact. energy: -0.077 local terms energy: -27.087752 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -36.057215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.057215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.057215 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.006 local terms energy: -23.000945 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -2.781 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -37.778419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.778419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.778419 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.000 local terms energy: -22.833382 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -0.353 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -32.101321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.101321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.101321 (E_RNA) where: Base-Base interactions energy: -9.269 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.000 local terms energy: -22.832085 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.576 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: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -35.092284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.092284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.092284 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.000 local terms energy: -22.285771 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -32.022285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.022285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.022285 (E_RNA) where: Base-Base interactions energy: -12.433 where: short stacking energy: -12.433 Base-Backbone interact. energy: -0.018 local terms energy: -19.571309 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.440 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: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -30.541681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.541681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.541681 (E_RNA) where: Base-Base interactions energy: -8.863 where: short stacking energy: -8.863 Base-Backbone interact. energy: -0.006 local terms energy: -21.671899 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.448 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: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -32.104897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.104897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.104897 (E_RNA) where: Base-Base interactions energy: -11.599 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.000 local terms energy: -20.505597 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -37.286373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.286373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.286373 (E_RNA) where: Base-Base interactions energy: -14.898 where: short stacking energy: -14.898 Base-Backbone interact. energy: -0.001 local terms energy: -22.387369 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.564 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -42.182771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.182771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.182771 (E_RNA) where: Base-Base interactions energy: -13.633 where: short stacking energy: -13.633 Base-Backbone interact. energy: -0.000 local terms energy: -28.549367 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -6.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -40.605442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.605442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.605442 (E_RNA) where: Base-Base interactions energy: -17.506 where: short stacking energy: -17.506 Base-Backbone interact. energy: -0.000 local terms energy: -23.099623 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.318 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: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -38.799076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.799076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.799076 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.000 local terms energy: -25.552165 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -5.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -37.382676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.382676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.382676 (E_RNA) where: Base-Base interactions energy: -14.134 where: short stacking energy: -14.134 Base-Backbone interact. energy: -0.014 local terms energy: -23.235098 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -2.420 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: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -36.074388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.074388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.074388 (E_RNA) where: Base-Base interactions energy: -17.834 where: short stacking energy: -17.834 Base-Backbone interact. energy: -0.001 local terms energy: -18.239874 where: bonds (distance) C4'-P energy: -2.640 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -31.497635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.497635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.497635 (E_RNA) where: Base-Base interactions energy: -10.149 where: short stacking energy: -10.149 Base-Backbone interact. energy: -0.179 local terms energy: -21.169920 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -33.055691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.055691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.055691 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.002 local terms energy: -21.206171 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -2.444 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -5.030 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: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -30.557301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.557301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.557301 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.005 local terms energy: -18.955621 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -3.488 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -2.969 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: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -34.221282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.221282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.221282 (E_RNA) where: Base-Base interactions energy: -9.359 where: short stacking energy: -9.359 Base-Backbone interact. energy: -0.000 local terms energy: -24.862306 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -33.737345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.737345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.737345 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.018 local terms energy: -21.954472 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -3.660 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: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -41.786563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.786563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.786563 (E_RNA) where: Base-Base interactions energy: -14.527 where: short stacking energy: -14.527 Base-Backbone interact. energy: -0.000 local terms energy: -27.259407 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -37.043002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.043002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.043002 (E_RNA) where: Base-Base interactions energy: -14.078 where: short stacking energy: -14.078 Base-Backbone interact. energy: -0.015 local terms energy: -22.949542 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -37.290136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.290136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.290136 (E_RNA) where: Base-Base interactions energy: -9.612 where: short stacking energy: -9.612 Base-Backbone interact. energy: -0.098 local terms energy: -27.579702 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -32.324157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.324157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.324157 (E_RNA) where: Base-Base interactions energy: -9.653 where: short stacking energy: -9.653 Base-Backbone interact. energy: -0.370 local terms energy: -22.300746 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -34.252004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.252004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.252004 (E_RNA) where: Base-Base interactions energy: -13.875 where: short stacking energy: -13.875 Base-Backbone interact. energy: -0.256 local terms energy: -20.121511 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.355 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: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -38.751839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.751839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.751839 (E_RNA) where: Base-Base interactions energy: -16.154 where: short stacking energy: -16.154 Base-Backbone interact. energy: -0.001 local terms energy: -22.597319 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -27.599152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.599152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.599152 (E_RNA) where: Base-Base interactions energy: -9.600 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.001 local terms energy: -17.998014 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -0.779 flat angles P-C4'-P energy: -1.417 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -32.211298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.211298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.211298 (E_RNA) where: Base-Base interactions energy: -11.037 where: short stacking energy: -11.037 Base-Backbone interact. energy: -0.126 local terms energy: -21.048767 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -30.147131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.147131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.147131 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.000 local terms energy: -16.538707 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.228 flat angles P-C4'-P energy: -0.640 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -25.391058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.391058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.391058 (E_RNA) where: Base-Base interactions energy: -5.617 where: short stacking energy: -5.917 Base-Backbone interact. energy: -0.101 local terms energy: -19.673677 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.267 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: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -36.867705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.867705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.867705 (E_RNA) where: Base-Base interactions energy: -12.772 where: short stacking energy: -12.772 Base-Backbone interact. energy: -0.003 local terms energy: -24.092371 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.207 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: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -37.965343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.965343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.965343 (E_RNA) where: Base-Base interactions energy: -13.378 where: short stacking energy: -13.378 Base-Backbone interact. energy: -0.684 local terms energy: -23.903800 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -3.729 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: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -33.478018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.478018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.478018 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.009 local terms energy: -24.262912 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -33.502500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.502500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.502500 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.003 local terms energy: -20.419602 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -3.402 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: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -33.818199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.818199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.818199 (E_RNA) where: Base-Base interactions energy: -13.348 where: short stacking energy: -13.348 Base-Backbone interact. energy: -0.011 local terms energy: -20.458720 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -2.623 flat angles P-C4'-P energy: -3.448 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: 275 Temperature: 1.150000 Total energy: -39.611280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.611280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.611280 (E_RNA) where: Base-Base interactions energy: -14.073 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.015 local terms energy: -25.523769 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -33.697547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.697547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.697547 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.000 local terms energy: -24.295521 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -33.900514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.900514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.900514 (E_RNA) where: Base-Base interactions energy: -13.744 where: short stacking energy: -13.744 Base-Backbone interact. energy: -0.000 local terms energy: -20.156647 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -1.909 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -35.307334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307334 (E_RNA) where: Base-Base interactions energy: -13.162 where: short stacking energy: -13.162 Base-Backbone interact. energy: -0.079 local terms energy: -22.065952 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -2.554 flat angles P-C4'-P energy: -4.863 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: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -26.596021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.596021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.596021 (E_RNA) where: Base-Base interactions energy: -5.129 where: short stacking energy: -5.129 Base-Backbone interact. energy: -0.083 local terms energy: -21.384265 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -3.756 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: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -36.728800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.728800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.728800 (E_RNA) where: Base-Base interactions energy: -13.171 where: short stacking energy: -13.171 Base-Backbone interact. energy: -0.107 local terms energy: -23.450388 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -33.365899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.365899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.365899 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.400 Base-Backbone interact. energy: -0.019 local terms energy: -21.947440 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.236 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: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -34.098408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.098408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.098408 (E_RNA) where: Base-Base interactions energy: -9.143 where: short stacking energy: -9.143 Base-Backbone interact. energy: -0.000 local terms energy: -24.955233 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -34.620513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.620513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.620513 (E_RNA) where: Base-Base interactions energy: -11.423 where: short stacking energy: -11.423 Base-Backbone interact. energy: -0.083 local terms energy: -23.114152 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.128 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: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -35.697445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.697445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.697445 (E_RNA) where: Base-Base interactions energy: -10.715 where: short stacking energy: -10.715 Base-Backbone interact. energy: -0.000 local terms energy: -24.981971 where: bonds (distance) C4'-P energy: -2.617 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -6.141 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: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -33.466999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.466999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.466999 (E_RNA) where: Base-Base interactions energy: -9.977 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.000 local terms energy: -23.489846 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -30.091843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.091843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.091843 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: 0.026 local terms energy: -19.315109 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -31.904223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904223 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.045 local terms energy: -19.283487 where: bonds (distance) C4'-P energy: -1.979 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.826 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: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -30.886405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.886405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.886405 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.023 local terms energy: -22.566392 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -4.610 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: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -31.131913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.131913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.131913 (E_RNA) where: Base-Base interactions energy: -11.173 where: short stacking energy: -11.173 Base-Backbone interact. energy: -0.051 local terms energy: -19.908702 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: 1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -40.514785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.514785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.514785 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.015 local terms energy: -27.370405 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -38.396973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.396973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.396973 (E_RNA) where: Base-Base interactions energy: -11.741 where: short stacking energy: -11.741 Base-Backbone interact. energy: -0.016 local terms energy: -26.639496 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -40.069644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.069644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.069644 (E_RNA) where: Base-Base interactions energy: -14.548 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.001 local terms energy: -25.520831 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -38.674371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.674371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.674371 (E_RNA) where: Base-Base interactions energy: -14.484 where: short stacking energy: -14.484 Base-Backbone interact. energy: -0.000 local terms energy: -24.190520 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -33.642662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.642662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.642662 (E_RNA) where: Base-Base interactions energy: -11.938 where: short stacking energy: -11.938 Base-Backbone interact. energy: -0.026 local terms energy: -21.679079 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -36.616000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616000 (E_RNA) where: Base-Base interactions energy: -14.230 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.005 local terms energy: -22.380817 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.921 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: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -28.859358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.859358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.859358 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.004 local terms energy: -19.670053 where: bonds (distance) C4'-P energy: -5.045 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.072 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: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -32.315217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.315217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.315217 (E_RNA) where: Base-Base interactions energy: -13.360 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.000 local terms energy: -18.954929 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.069 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -2.777 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: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -36.425233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.425233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.425233 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.000 local terms energy: -22.383085 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.646 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -26.505613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.505613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.505613 (E_RNA) where: Base-Base interactions energy: -6.178 where: short stacking energy: -6.178 Base-Backbone interact. energy: -0.009 local terms energy: -20.318966 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.390 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: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -35.690616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690616 (E_RNA) where: Base-Base interactions energy: -14.182 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.011 local terms energy: -21.497814 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -4.050 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: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -40.274356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.274356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.274356 (E_RNA) where: Base-Base interactions energy: -16.678 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.010 local terms energy: -23.587192 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -5.411 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: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -35.586680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.586680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.586680 (E_RNA) where: Base-Base interactions energy: -13.867 where: short stacking energy: -13.867 Base-Backbone interact. energy: -0.002 local terms energy: -21.717696 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -1.904 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -33.596070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.596070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.596070 (E_RNA) where: Base-Base interactions energy: -14.743 where: short stacking energy: -14.795 Base-Backbone interact. energy: -0.028 local terms energy: -18.824551 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -3.269 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -4.255 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: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -34.643058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.643058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.643058 (E_RNA) where: Base-Base interactions energy: -15.557 where: short stacking energy: -15.557 Base-Backbone interact. energy: -0.003 local terms energy: -19.082704 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.840 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: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -35.585270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.585270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.585270 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.001 local terms energy: -22.645609 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -33.171733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.171733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.171733 (E_RNA) where: Base-Base interactions energy: -12.595 where: short stacking energy: -12.595 Base-Backbone interact. energy: -0.013 local terms energy: -20.563858 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.695 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -27.898340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.898340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.898340 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.347 local terms energy: -19.046948 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.261 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -3.925 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: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -30.723206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.723206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.723206 (E_RNA) where: Base-Base interactions energy: -11.571 where: short stacking energy: -11.571 Base-Backbone interact. energy: -0.098 local terms energy: -19.053964 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -2.438 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: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -30.512248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.512248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.512248 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.047 local terms energy: -22.543880 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -5.181 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: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -40.472232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.472232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.472232 (E_RNA) where: Base-Base interactions energy: -12.343 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.000 local terms energy: -28.129093 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -37.135634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.135634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.135634 (E_RNA) where: Base-Base interactions energy: -13.214 where: short stacking energy: -13.214 Base-Backbone interact. energy: -0.043 local terms energy: -23.878722 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -36.932095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.932095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.932095 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.000 local terms energy: -24.524889 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -1.931 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: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -38.296905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.296905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.296905 (E_RNA) where: Base-Base interactions energy: -13.656 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.000 local terms energy: -24.640332 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.663 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -37.716351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.716351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.716351 (E_RNA) where: Base-Base interactions energy: -14.031 where: short stacking energy: -14.031 Base-Backbone interact. energy: -0.000 local terms energy: -23.685221 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -34.857904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.857904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.857904 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.489 Base-Backbone interact. energy: -0.000 local terms energy: -21.369238 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -4.489 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: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -32.615566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.615566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.615566 (E_RNA) where: Base-Base interactions energy: -11.007 where: short stacking energy: -11.007 Base-Backbone interact. energy: -0.005 local terms energy: -21.603962 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -30.952960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.952960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.952960 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.016 local terms energy: -22.053330 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -40.032369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.032369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.032369 (E_RNA) where: Base-Base interactions energy: -13.923 where: short stacking energy: -13.923 Base-Backbone interact. energy: -0.003 local terms energy: -26.106340 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -33.069166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.069166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.069166 (E_RNA) where: Base-Base interactions energy: -12.594 where: short stacking energy: -12.594 Base-Backbone interact. energy: -0.002 local terms energy: -20.473186 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.504 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: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -41.181917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.181917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.181917 (E_RNA) where: Base-Base interactions energy: -18.391 where: short stacking energy: -18.391 Base-Backbone interact. energy: -0.033 local terms energy: -22.757826 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.246 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: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -38.145015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.145015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.145015 (E_RNA) where: Base-Base interactions energy: -15.333 where: short stacking energy: -15.333 Base-Backbone interact. energy: -0.000 local terms energy: -22.811949 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -36.430967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.430967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.430967 (E_RNA) where: Base-Base interactions energy: -13.408 where: short stacking energy: -13.408 Base-Backbone interact. energy: -0.000 local terms energy: -23.023318 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -41.833903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.833903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.833903 (E_RNA) where: Base-Base interactions energy: -15.979 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.000 local terms energy: -25.854800 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -32.052474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.052474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.052474 (E_RNA) where: Base-Base interactions energy: -14.901 where: short stacking energy: -14.901 Base-Backbone interact. energy: -0.001 local terms energy: -17.150238 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -1.964 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -35.564437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.564437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.564437 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.000 local terms energy: -22.573778 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -30.701236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.701236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.701236 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.874 Base-Backbone interact. energy: -0.406 local terms energy: -19.670953 where: bonds (distance) C4'-P energy: -3.149 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -32.172157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.172157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.172157 (E_RNA) where: Base-Base interactions energy: -14.523 where: short stacking energy: -14.523 Base-Backbone interact. energy: -0.085 local terms energy: -17.563923 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -2.191 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: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -30.540105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.540105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.540105 (E_RNA) where: Base-Base interactions energy: -8.600 where: short stacking energy: -8.600 Base-Backbone interact. energy: -0.024 local terms energy: -21.915895 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -1.210 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: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -26.382531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.382531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.382531 (E_RNA) where: Base-Base interactions energy: -4.247 where: short stacking energy: -4.247 Base-Backbone interact. energy: -0.000 local terms energy: -22.135182 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.629 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -41.862937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.862937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.862937 (E_RNA) where: Base-Base interactions energy: -17.872 where: short stacking energy: -17.872 Base-Backbone interact. energy: -0.000 local terms energy: -23.991188 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -38.880386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.880386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.880386 (E_RNA) where: Base-Base interactions energy: -13.915 where: short stacking energy: -13.915 Base-Backbone interact. energy: -0.000 local terms energy: -24.964918 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -40.798574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.798574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.798574 (E_RNA) where: Base-Base interactions energy: -15.762 where: short stacking energy: -15.762 Base-Backbone interact. energy: -0.000 local terms energy: -25.036106 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -33.432523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432523 (E_RNA) where: Base-Base interactions energy: -8.705 where: short stacking energy: -8.705 Base-Backbone interact. energy: -0.048 local terms energy: -24.678910 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -2.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -31.169236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.169236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.169236 (E_RNA) where: Base-Base interactions energy: -8.737 where: short stacking energy: -8.737 Base-Backbone interact. energy: -0.692 local terms energy: -21.739475 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -32.626054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.626054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.626054 (E_RNA) where: Base-Base interactions energy: -12.297 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.067 local terms energy: -20.261419 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -31.581575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.581575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.581575 (E_RNA) where: Base-Base interactions energy: -10.328 where: short stacking energy: -10.328 Base-Backbone interact. energy: -0.021 local terms energy: -21.232598 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -32.244494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.244494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.244494 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.001 local terms energy: -20.506841 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.341 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: 281 Temperature: 1.300000 Total energy: -29.809168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.809168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.809168 (E_RNA) where: Base-Base interactions energy: -9.095 where: short stacking energy: -9.095 Base-Backbone interact. energy: -0.073 local terms energy: -20.640593 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -4.042 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: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -30.399192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.399192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.399192 (E_RNA) where: Base-Base interactions energy: -7.398 where: short stacking energy: -7.398 Base-Backbone interact. energy: -0.082 local terms energy: -22.919518 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.165 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: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -39.733776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.733776 (E_RNA) where: Base-Base interactions energy: -14.503 where: short stacking energy: -14.503 Base-Backbone interact. energy: -0.000 local terms energy: -25.230800 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -40.815408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.815408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.815408 (E_RNA) where: Base-Base interactions energy: -12.405 where: short stacking energy: -12.405 Base-Backbone interact. energy: -0.000 local terms energy: -28.410818 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -6.061 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: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -35.311299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.311299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.311299 (E_RNA) where: Base-Base interactions energy: -12.548 where: short stacking energy: -12.548 Base-Backbone interact. energy: 0.497 local terms energy: -23.260481 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -36.852232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.852232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.852232 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.000 local terms energy: -26.903430 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -36.412187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.412187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.412187 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.018 local terms energy: -25.052366 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -30.534477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.534477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.534477 (E_RNA) where: Base-Base interactions energy: -8.928 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.003 local terms energy: -21.603420 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.494 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: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -30.928893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.928893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.928893 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.041 local terms energy: -19.723774 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -2.705 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: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -29.389688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.389688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.389688 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.000 local terms energy: -19.825009 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -3.576 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: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -29.628336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.628336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.628336 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.026 local terms energy: -16.428459 where: bonds (distance) C4'-P energy: -1.609 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -2.888 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -31.352972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.352972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.352972 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.005 local terms energy: -23.164509 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -40.337839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.337839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.337839 (E_RNA) where: Base-Base interactions energy: -17.552 where: short stacking energy: -17.552 Base-Backbone interact. energy: -0.000 local terms energy: -22.785439 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -37.840697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.840697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.840697 (E_RNA) where: Base-Base interactions energy: -13.369 where: short stacking energy: -13.369 Base-Backbone interact. energy: -0.004 local terms energy: -24.467754 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -5.010 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: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -35.430579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.430579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.430579 (E_RNA) where: Base-Base interactions energy: -11.837 where: short stacking energy: -11.837 Base-Backbone interact. energy: -0.000 local terms energy: -23.593223 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -0.145 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -32.039339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.039339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.039339 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.128 local terms energy: -19.364636 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -1.827 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -36.426966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426966 (E_RNA) where: Base-Base interactions energy: -12.731 where: short stacking energy: -12.731 Base-Backbone interact. energy: -0.100 local terms energy: -23.595999 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -32.955373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.955373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.955373 (E_RNA) where: Base-Base interactions energy: -9.413 where: short stacking energy: -9.413 Base-Backbone interact. energy: -0.017 local terms energy: -23.525990 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -3.623 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: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -35.432392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.432392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.432392 (E_RNA) where: Base-Base interactions energy: -12.881 where: short stacking energy: -12.881 Base-Backbone interact. energy: -0.088 local terms energy: -22.463965 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -26.740683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.740683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.740683 (E_RNA) where: Base-Base interactions energy: -5.862 where: short stacking energy: -5.862 Base-Backbone interact. energy: -0.126 local terms energy: -20.752677 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -4.520 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: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -33.005950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.005950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.005950 (E_RNA) where: Base-Base interactions energy: -9.263 where: short stacking energy: -9.263 Base-Backbone interact. energy: -0.002 local terms energy: -23.741455 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -4.102 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: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -31.004908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.004908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.004908 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -9.254 Base-Backbone interact. energy: -0.006 local terms energy: -21.744898 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -39.725767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725767 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.003 local terms energy: -25.776562 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -40.274288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.274288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.274288 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.001 local terms energy: -27.419979 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -38.864474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.864474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.864474 (E_RNA) where: Base-Base interactions energy: -16.925 where: short stacking energy: -16.925 Base-Backbone interact. energy: -0.000 local terms energy: -21.939924 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.863 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -37.379907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.379907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.379907 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.006 local terms energy: -23.779705 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -35.008863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.008863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.008863 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -14.268 Base-Backbone interact. energy: -0.002 local terms energy: -20.738899 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -2.362 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: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -40.537308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.537308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.537308 (E_RNA) where: Base-Base interactions energy: -17.009 where: short stacking energy: -17.009 Base-Backbone interact. energy: -0.000 local terms energy: -23.528345 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.915 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -29.513653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.513653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.513653 (E_RNA) where: Base-Base interactions energy: -8.734 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.000 local terms energy: -20.779176 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -31.371913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.371913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.371913 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.001 local terms energy: -22.693805 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -4.551 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: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -32.932432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.932432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.932432 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.000 local terms energy: -21.382873 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -0.258 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -28.369808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.369808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.369808 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.000 local terms energy: -20.089066 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -1.723 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -37.586617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.586617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.586617 (E_RNA) where: Base-Base interactions energy: -13.899 where: short stacking energy: -13.899 Base-Backbone interact. energy: -0.201 local terms energy: -23.486837 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -38.218704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.218704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.218704 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.000 local terms energy: -24.010981 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -33.191390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.191390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.191390 (E_RNA) where: Base-Base interactions energy: -10.811 where: short stacking energy: -10.811 Base-Backbone interact. energy: 0.094 local terms energy: -22.474022 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -3.992 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: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -32.830421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830421 (E_RNA) where: Base-Base interactions energy: -10.264 where: short stacking energy: -10.264 Base-Backbone interact. energy: -0.205 local terms energy: -22.360728 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -34.528952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.528952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.528952 (E_RNA) where: Base-Base interactions energy: -9.153 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.000 local terms energy: -25.375676 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -33.017856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.017856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.017856 (E_RNA) where: Base-Base interactions energy: -9.607 where: short stacking energy: -9.607 Base-Backbone interact. energy: -0.189 local terms energy: -23.221321 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -28.749591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.749591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.749591 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: -8.813 Base-Backbone interact. energy: -0.000 local terms energy: -19.936890 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.950 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -33.959877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.959877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.959877 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.000 local terms energy: -20.201302 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: -4.156 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: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -30.023094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.023094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.023094 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.003 local terms energy: -22.494232 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.723 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: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -30.940610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.940610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.940610 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.053 local terms energy: -19.103929 where: bonds (distance) C4'-P energy: -0.509 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -39.485439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485439 (E_RNA) where: Base-Base interactions energy: -17.577 where: short stacking energy: -18.053 Base-Backbone interact. energy: -0.012 local terms energy: -21.895732 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -35.933899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.933899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.933899 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.000 local terms energy: -24.471867 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.885 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: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -35.032246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032246 (E_RNA) where: Base-Base interactions energy: -12.740 where: short stacking energy: -12.740 Base-Backbone interact. energy: -0.012 local terms energy: -22.280266 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.827 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: 4, replica: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -38.022715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.022715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.022715 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -14.478 Base-Backbone interact. energy: -0.003 local terms energy: -23.541866 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -34.289487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.289487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.289487 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.873 local terms energy: -22.071926 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -4.374 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: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -29.238799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.238799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.238799 (E_RNA) where: Base-Base interactions energy: -9.966 where: short stacking energy: -9.966 Base-Backbone interact. energy: -0.089 local terms energy: -19.184009 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: 1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -31.619902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.619902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.619902 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.024 local terms energy: -21.057427 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -30.712119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.712119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.712119 (E_RNA) where: Base-Base interactions energy: -8.111 where: short stacking energy: -8.111 Base-Backbone interact. energy: -0.047 local terms energy: -22.554530 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -31.960714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.960714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.960714 (E_RNA) where: Base-Base interactions energy: -9.240 where: short stacking energy: -9.240 Base-Backbone interact. energy: -0.000 local terms energy: -22.720823 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -33.365694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.365694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.365694 (E_RNA) where: Base-Base interactions energy: -13.820 where: short stacking energy: -13.820 Base-Backbone interact. energy: -0.002 local terms energy: -19.544601 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -41.242740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.242740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.242740 (E_RNA) where: Base-Base interactions energy: -14.652 where: short stacking energy: -14.652 Base-Backbone interact. energy: -0.000 local terms energy: -26.590942 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -38.793177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.793177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.793177 (E_RNA) where: Base-Base interactions energy: -12.864 where: short stacking energy: -12.864 Base-Backbone interact. energy: -0.001 local terms energy: -25.928183 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -37.170095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170095 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.517 local terms energy: -25.052758 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -37.507407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.507407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.507407 (E_RNA) where: Base-Base interactions energy: -16.492 where: short stacking energy: -16.492 Base-Backbone interact. energy: -0.000 local terms energy: -21.015451 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -3.353 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -36.309774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.309774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.309774 (E_RNA) where: Base-Base interactions energy: -15.608 where: short stacking energy: -15.608 Base-Backbone interact. energy: -0.286 local terms energy: -20.415623 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -1.564 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: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -34.734826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.734826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.734826 (E_RNA) where: Base-Base interactions energy: -9.805 where: short stacking energy: -9.805 Base-Backbone interact. energy: -0.000 local terms energy: -24.929927 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -32.505700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.505700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.505700 (E_RNA) where: Base-Base interactions energy: -10.281 where: short stacking energy: -10.281 Base-Backbone interact. energy: -0.002 local terms energy: -22.222001 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.002 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: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -32.254488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.254488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.254488 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.059 local terms energy: -20.961978 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.250 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: 9, replica: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -28.921835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.921835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.921835 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.043 local terms energy: -21.056034 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -28.938848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.938848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.938848 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.001 local terms energy: -20.321639 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.839 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: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -42.544838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.544838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.544838 (E_RNA) where: Base-Base interactions energy: -16.432 where: short stacking energy: -16.432 Base-Backbone interact. energy: -0.000 local terms energy: -26.112624 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -38.304119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.304119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.304119 (E_RNA) where: Base-Base interactions energy: -13.274 where: short stacking energy: -13.274 Base-Backbone interact. energy: -0.000 local terms energy: -25.030438 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -34.657837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.657837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.657837 (E_RNA) where: Base-Base interactions energy: -15.435 where: short stacking energy: -15.435 Base-Backbone interact. energy: -0.000 local terms energy: -19.222781 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -39.231124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.231124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.231124 (E_RNA) where: Base-Base interactions energy: -13.158 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.001 local terms energy: -26.072314 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -4.144 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: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -38.410810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.410810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.410810 (E_RNA) where: Base-Base interactions energy: -14.651 where: short stacking energy: -14.651 Base-Backbone interact. energy: -0.019 local terms energy: -23.740475 where: bonds (distance) C4'-P energy: -4.172 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.812 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: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -26.589822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.589822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.589822 (E_RNA) where: Base-Base interactions energy: -6.709 where: short stacking energy: -6.822 Base-Backbone interact. energy: -0.002 local terms energy: -19.879148 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -4.224 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: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -26.569291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.569291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.569291 (E_RNA) where: Base-Base interactions energy: -3.886 where: short stacking energy: -3.886 Base-Backbone interact. energy: -0.045 local terms energy: -22.637969 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -35.608217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.608217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.608217 (E_RNA) where: Base-Base interactions energy: -12.571 where: short stacking energy: -12.571 Base-Backbone interact. energy: -0.000 local terms energy: -23.037014 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -1.151 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -26.587916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.587916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.587916 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.104 local terms energy: -14.047737 where: bonds (distance) C4'-P energy: 0.376 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -1.655 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -28.021530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.021530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.021530 (E_RNA) where: Base-Base interactions energy: -7.799 where: short stacking energy: -7.799 Base-Backbone interact. energy: 0.286 local terms energy: -20.509188 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -4.603 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: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -38.462447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.462447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.462447 (E_RNA) where: Base-Base interactions energy: -17.541 where: short stacking energy: -17.541 Base-Backbone interact. energy: -0.000 local terms energy: -20.921247 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.729 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: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -42.595065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.595065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.595065 (E_RNA) where: Base-Base interactions energy: -16.440 where: short stacking energy: -16.440 Base-Backbone interact. energy: -0.000 local terms energy: -26.154926 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -36.750880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.750880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.750880 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.081 local terms energy: -23.332017 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.367 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: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -37.725701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.725701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.725701 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.000 local terms energy: -24.000909 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -33.454155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454155 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.094 local terms energy: -25.018250 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -36.924616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.924616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.924616 (E_RNA) where: Base-Base interactions energy: -17.052 where: short stacking energy: -17.052 Base-Backbone interact. energy: -0.000 local terms energy: -19.872605 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -2.969 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: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -32.066870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.066870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.066870 (E_RNA) where: Base-Base interactions energy: -10.630 where: short stacking energy: -10.630 Base-Backbone interact. energy: -0.000 local terms energy: -21.436256 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -3.756 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: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -29.722419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722419 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.010 local terms energy: -22.444503 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -31.658193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.658193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.658193 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.067 local terms energy: -18.375924 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -4.133 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: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -25.690549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.690549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.690549 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -7.905 Base-Backbone interact. energy: -1.102 local terms energy: -16.683686 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -3.319 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: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -39.314004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.314004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.314004 (E_RNA) where: Base-Base interactions energy: -18.179 where: short stacking energy: -18.179 Base-Backbone interact. energy: -0.000 local terms energy: -21.134830 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.631 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: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -41.516889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.516889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.516889 (E_RNA) where: Base-Base interactions energy: -13.899 where: short stacking energy: -13.899 Base-Backbone interact. energy: -0.001 local terms energy: -27.617015 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -38.962804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.962804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.962804 (E_RNA) where: Base-Base interactions energy: -12.735 where: short stacking energy: -12.735 Base-Backbone interact. energy: -0.000 local terms energy: -26.227131 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -32.566075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.566075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.566075 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.000 local terms energy: -22.560949 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -35.295166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295166 (E_RNA) where: Base-Base interactions energy: -10.054 where: short stacking energy: -10.054 Base-Backbone interact. energy: -0.000 local terms energy: -25.241168 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -33.370031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.370031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.370031 (E_RNA) where: Base-Base interactions energy: -10.847 where: short stacking energy: -10.847 Base-Backbone interact. energy: -0.007 local terms energy: -22.515272 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -2.499 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: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -33.711649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.711649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.711649 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -12.766 Base-Backbone interact. energy: -0.041 local terms energy: -20.904531 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -33.533890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.533890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.533890 (E_RNA) where: Base-Base interactions energy: -14.938 where: short stacking energy: -14.938 Base-Backbone interact. energy: -0.001 local terms energy: -18.595128 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: 0.009 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: 3 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -30.118123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.118123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.118123 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.000 local terms energy: -22.196418 where: bonds (distance) C4'-P energy: -2.881 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -5.388 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: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -26.615969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.615969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.615969 (E_RNA) where: Base-Base interactions energy: -8.327 where: short stacking energy: -8.327 Base-Backbone interact. energy: -0.266 local terms energy: -18.022236 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: 0.573 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -36.619095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.619095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.619095 (E_RNA) where: Base-Base interactions energy: -12.997 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.002 local terms energy: -23.619398 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.720 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: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -39.089767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.089767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.089767 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.000 local terms energy: -25.753266 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -40.002705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.002705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.002705 (E_RNA) where: Base-Base interactions energy: -18.032 where: short stacking energy: -14.991 Base-Backbone interact. energy: -0.001 local terms energy: -21.970430 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -36.769550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.769550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.769550 (E_RNA) where: Base-Base interactions energy: -13.764 where: short stacking energy: -13.764 Base-Backbone interact. energy: -0.001 local terms energy: -23.003951 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.122 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: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -36.946000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.946000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.946000 (E_RNA) where: Base-Base interactions energy: -13.793 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.001 local terms energy: -23.152294 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -34.615884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.615884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.615884 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.046 local terms energy: -22.581790 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -4.312 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: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -30.475883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.475883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.475883 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.897 Base-Backbone interact. energy: -0.020 local terms energy: -22.368641 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -31.091329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.091329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.091329 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.025 local terms energy: -21.522246 where: bonds (distance) C4'-P energy: -2.981 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -26.973398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.973398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.973398 (E_RNA) where: Base-Base interactions energy: -5.663 where: short stacking energy: -5.663 Base-Backbone interact. energy: -0.008 local terms energy: -21.302627 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -30.562518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.562518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.562518 (E_RNA) where: Base-Base interactions energy: -11.745 where: short stacking energy: -11.745 Base-Backbone interact. energy: -0.003 local terms energy: -18.814865 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -40.538710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.538710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.538710 (E_RNA) where: Base-Base interactions energy: -14.390 where: short stacking energy: -14.390 Base-Backbone interact. energy: 0.245 local terms energy: -26.393079 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -41.728736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.728736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.728736 (E_RNA) where: Base-Base interactions energy: -14.327 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.000 local terms energy: -27.401257 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -34.148500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.148500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.148500 (E_RNA) where: Base-Base interactions energy: -13.609 where: short stacking energy: -13.609 Base-Backbone interact. energy: -0.001 local terms energy: -20.538202 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -3.092 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: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -36.065753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.065753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.065753 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.688 Base-Backbone interact. energy: -0.009 local terms energy: -23.369059 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -35.402631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.402631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.402631 (E_RNA) where: Base-Base interactions energy: -14.474 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.001 local terms energy: -20.927491 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -0.911 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: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -33.903206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.903206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.903206 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.043 local terms energy: -19.935889 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -34.206900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.206900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.206900 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.001 local terms energy: -22.543140 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -5.306 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: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -31.861971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.861971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.861971 (E_RNA) where: Base-Base interactions energy: -12.110 where: short stacking energy: -12.110 Base-Backbone interact. energy: -0.026 local terms energy: -19.726305 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.058 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: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -30.532743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.532743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.532743 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.089 local terms energy: -20.354374 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -3.023 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: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -28.920982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.920982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.920982 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.000 local terms energy: -19.980750 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -3.326 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -43.969831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.969831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.969831 (E_RNA) where: Base-Base interactions energy: -17.338 where: short stacking energy: -17.338 Base-Backbone interact. energy: -0.000 local terms energy: -26.631900 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -40.193151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.193151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.193151 (E_RNA) where: Base-Base interactions energy: -14.888 where: short stacking energy: -14.888 Base-Backbone interact. energy: -0.001 local terms energy: -25.303857 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -35.147132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147132 (E_RNA) where: Base-Base interactions energy: -13.745 where: short stacking energy: -13.745 Base-Backbone interact. energy: -0.069 local terms energy: -21.332770 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -36.988319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.988319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.988319 (E_RNA) where: Base-Base interactions energy: -13.286 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.033 local terms energy: -23.669398 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -35.166298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.166298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.166298 (E_RNA) where: Base-Base interactions energy: -11.290 where: short stacking energy: -11.290 Base-Backbone interact. energy: -0.037 local terms energy: -23.839709 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -2.472 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -36.319589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.319589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.319589 (E_RNA) where: Base-Base interactions energy: -13.437 where: short stacking energy: -13.437 Base-Backbone interact. energy: -0.001 local terms energy: -22.881521 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -5.211 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: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -35.395452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.395452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.395452 (E_RNA) where: Base-Base interactions energy: -13.348 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.099 local terms energy: -21.947994 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -2.617 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: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -29.124572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.124572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.124572 (E_RNA) where: Base-Base interactions energy: -11.223 where: short stacking energy: -11.223 Base-Backbone interact. energy: -0.064 local terms energy: -17.837858 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: 1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -30.899538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.899538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.899538 (E_RNA) where: Base-Base interactions energy: -8.863 where: short stacking energy: -8.863 Base-Backbone interact. energy: -0.002 local terms energy: -22.033750 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.125 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -28.145059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.145059 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.004 local terms energy: -17.649094 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -1.906 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: 1, replica: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -44.525731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.525731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.525731 (E_RNA) where: Base-Base interactions energy: -17.124 where: short stacking energy: -17.124 Base-Backbone interact. energy: -0.000 local terms energy: -27.401374 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -43.237720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.237720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.237720 (E_RNA) where: Base-Base interactions energy: -15.134 where: short stacking energy: -15.134 Base-Backbone interact. energy: -0.000 local terms energy: -28.104075 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -7.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -37.885103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.885103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.885103 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.009 local terms energy: -22.779328 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -37.226905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.226905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.226905 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.038 local terms energy: -23.462821 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.742 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -35.794616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.794616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.794616 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.099 local terms energy: -21.362518 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -33.044198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.044198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.044198 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.019 local terms energy: -24.744944 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -35.113356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.113356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.113356 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.000 local terms energy: -22.431393 where: bonds (distance) C4'-P energy: -2.508 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -4.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -32.218611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.218611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.218611 (E_RNA) where: Base-Base interactions energy: -12.914 where: short stacking energy: -12.914 Base-Backbone interact. energy: -0.001 local terms energy: -19.303258 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -2.083 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: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -30.110718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.110718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.110718 (E_RNA) where: Base-Base interactions energy: -9.123 where: short stacking energy: -9.123 Base-Backbone interact. energy: -0.001 local terms energy: -20.987296 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -26.460704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.460704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.460704 (E_RNA) where: Base-Base interactions energy: -3.507 where: short stacking energy: -3.507 Base-Backbone interact. energy: -0.064 local terms energy: -22.889889 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.569 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: 7 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -38.830386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.830386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.830386 (E_RNA) where: Base-Base interactions energy: -13.977 where: short stacking energy: -13.977 Base-Backbone interact. energy: -0.115 local terms energy: -24.738582 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -35.337614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.337614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.337614 (E_RNA) where: Base-Base interactions energy: -11.873 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.001 local terms energy: -23.464069 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -38.175348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175348 (E_RNA) where: Base-Base interactions energy: -12.685 where: short stacking energy: -12.685 Base-Backbone interact. energy: 0.010 local terms energy: -25.500181 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -36.439115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.439115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.439115 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.000 local terms energy: -23.004014 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -33.423453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.423453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.423453 (E_RNA) where: Base-Base interactions energy: -11.566 where: short stacking energy: -11.566 Base-Backbone interact. energy: -0.000 local terms energy: -21.857137 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -34.356982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.356982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.356982 (E_RNA) where: Base-Base interactions energy: -10.037 where: short stacking energy: -10.037 Base-Backbone interact. energy: -0.001 local terms energy: -24.318428 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -34.547724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.547724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.547724 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.000 local terms energy: -25.141706 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.771 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: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -28.614979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.614979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.614979 (E_RNA) where: Base-Base interactions energy: -9.398 where: short stacking energy: -9.398 Base-Backbone interact. energy: -0.040 local terms energy: -19.176740 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -4.394 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -26.443713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.443713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.443713 (E_RNA) where: Base-Base interactions energy: -5.529 where: short stacking energy: -5.529 Base-Backbone interact. energy: -0.000 local terms energy: -20.915130 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -3.086 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: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -36.720243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.720243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.720243 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.000 local terms energy: -22.790069 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -2.660 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: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -41.383465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.383465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.383465 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.003 local terms energy: -26.184984 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -34.205848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.205848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.205848 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.086 local terms energy: -24.111965 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -41.210060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.210060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.210060 (E_RNA) where: Base-Base interactions energy: -13.925 where: short stacking energy: -13.925 Base-Backbone interact. energy: -0.001 local terms energy: -27.284082 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -3.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -36.402513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.402513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.402513 (E_RNA) where: Base-Base interactions energy: -14.396 where: short stacking energy: -14.396 Base-Backbone interact. energy: -0.000 local terms energy: -22.006418 where: bonds (distance) C4'-P energy: -3.252 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -36.110020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.110020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.110020 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.000 local terms energy: -23.427531 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -35.822568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.822568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.822568 (E_RNA) where: Base-Base interactions energy: -13.825 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.000 local terms energy: -21.997757 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -34.770723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.770723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.770723 (E_RNA) where: Base-Base interactions energy: -13.728 where: short stacking energy: -13.728 Base-Backbone interact. energy: -0.023 local terms energy: -21.019151 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -1.182 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -35.650065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.650065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.650065 (E_RNA) where: Base-Base interactions energy: -13.493 where: short stacking energy: -13.493 Base-Backbone interact. energy: -0.090 local terms energy: -22.067333 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -2.781 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: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -30.888628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.888628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.888628 (E_RNA) where: Base-Base interactions energy: -11.292 where: short stacking energy: -11.292 Base-Backbone interact. energy: -0.000 local terms energy: -19.596282 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -31.471033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.471033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.471033 (E_RNA) where: Base-Base interactions energy: -9.374 where: short stacking energy: -9.374 Base-Backbone interact. energy: -0.002 local terms energy: -22.094431 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -0.999 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -41.912960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.912960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.912960 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.003 local terms energy: -28.495055 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -42.872159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.872159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.872159 (E_RNA) where: Base-Base interactions energy: -17.610 where: short stacking energy: -17.610 Base-Backbone interact. energy: -0.007 local terms energy: -25.255243 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.794 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: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -38.387109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.387109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.387109 (E_RNA) where: Base-Base interactions energy: -16.936 where: short stacking energy: -16.936 Base-Backbone interact. energy: -0.034 local terms energy: -21.416895 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -34.746490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.746490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.746490 (E_RNA) where: Base-Base interactions energy: -13.580 where: short stacking energy: -13.580 Base-Backbone interact. energy: -0.019 local terms energy: -21.146987 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -32.307803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.307803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.307803 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -9.105 Base-Backbone interact. energy: -0.000 local terms energy: -23.202698 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -35.620175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.620175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.620175 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.001 local terms energy: -24.450585 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -30.853199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.853199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.853199 (E_RNA) where: Base-Base interactions energy: -9.523 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.004 local terms energy: -21.326765 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -28.592104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.592104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.592104 (E_RNA) where: Base-Base interactions energy: -9.715 where: short stacking energy: -9.715 Base-Backbone interact. energy: 0.031 local terms energy: -18.907901 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -24.819231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.819231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.819231 (E_RNA) where: Base-Base interactions energy: -6.747 where: short stacking energy: -6.747 Base-Backbone interact. energy: -0.002 local terms energy: -18.070255 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -31.400146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.400146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.400146 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -9.708 Base-Backbone interact. energy: -0.001 local terms energy: -21.690808 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -2.942 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: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -45.000982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.000982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.000982 (E_RNA) where: Base-Base interactions energy: -17.187 where: short stacking energy: -17.187 Base-Backbone interact. energy: -0.000 local terms energy: -27.813584 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -36.230961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.230961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.230961 (E_RNA) where: Base-Base interactions energy: -13.799 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.264 local terms energy: -22.167926 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -3.962 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: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -36.310469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.310469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.310469 (E_RNA) where: Base-Base interactions energy: -12.989 where: short stacking energy: -12.989 Base-Backbone interact. energy: -0.084 local terms energy: -23.237240 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -38.282899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.282899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.282899 (E_RNA) where: Base-Base interactions energy: -15.569 where: short stacking energy: -15.569 Base-Backbone interact. energy: -0.000 local terms energy: -22.713678 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -35.532090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.532090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.532090 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.001 local terms energy: -22.444984 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -4.370 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: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -35.619094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.619094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.619094 (E_RNA) where: Base-Base interactions energy: -12.148 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.001 local terms energy: -23.470254 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -32.918451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918451 (E_RNA) where: Base-Base interactions energy: -12.462 where: short stacking energy: -12.462 Base-Backbone interact. energy: -0.008 local terms energy: -20.448339 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -4.716 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: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -31.877334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.877334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.877334 (E_RNA) where: Base-Base interactions energy: -11.899 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.683 local terms energy: -19.295425 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.582 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -27.738802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.738802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.738802 (E_RNA) where: Base-Base interactions energy: -8.415 where: short stacking energy: -8.415 Base-Backbone interact. energy: -0.000 local terms energy: -19.323287 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -1.641 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: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -32.071721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.071721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.071721 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.000 local terms energy: -21.334502 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -0.586 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -40.743783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.743783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.743783 (E_RNA) where: Base-Base interactions energy: -15.010 where: short stacking energy: -15.010 Base-Backbone interact. energy: -0.000 local terms energy: -25.733438 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -44.045040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.045040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.045040 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -16.100 Base-Backbone interact. energy: -0.002 local terms energy: -27.942825 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -34.107899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.107899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.107899 (E_RNA) where: Base-Base interactions energy: -11.180 where: short stacking energy: -11.180 Base-Backbone interact. energy: -0.012 local terms energy: -22.916640 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -4.643 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: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -34.184306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.184306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.184306 (E_RNA) where: Base-Base interactions energy: -11.244 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.076 local terms energy: -22.864335 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -41.024070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.024070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.024070 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -16.623 Base-Backbone interact. energy: -0.001 local terms energy: -24.400285 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.398 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -30.861752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861752 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.001 local terms energy: -17.389923 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -1.113 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -29.004463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004463 (E_RNA) where: Base-Base interactions energy: -9.412 where: short stacking energy: -9.412 Base-Backbone interact. energy: -0.190 local terms energy: -19.402880 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -4.657 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: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -28.236763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.236763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.236763 (E_RNA) where: Base-Base interactions energy: -8.938 where: short stacking energy: -8.938 Base-Backbone interact. energy: -0.129 local terms energy: -19.170437 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -2.125 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: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -33.399688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.399688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.399688 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.000 local terms energy: -21.788306 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.398 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -28.852524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.852524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.852524 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -7.969 Base-Backbone interact. energy: -0.138 local terms energy: -20.745357 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.498 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: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -41.753985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.753985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.753985 (E_RNA) where: Base-Base interactions energy: -18.061 where: short stacking energy: -18.061 Base-Backbone interact. energy: -0.004 local terms energy: -23.688351 where: bonds (distance) C4'-P energy: -3.622 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -40.490074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.490074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.490074 (E_RNA) where: Base-Base interactions energy: -15.006 where: short stacking energy: -15.006 Base-Backbone interact. energy: -0.000 local terms energy: -25.483636 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -37.132268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.132268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.132268 (E_RNA) where: Base-Base interactions energy: -13.788 where: short stacking energy: -13.788 Base-Backbone interact. energy: -0.000 local terms energy: -23.343776 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -39.961639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.961639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.961639 (E_RNA) where: Base-Base interactions energy: -16.796 where: short stacking energy: -16.796 Base-Backbone interact. energy: -0.000 local terms energy: -23.165215 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -0.292 tors. eta vs tors. theta energy: -5.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -35.785382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.785382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.785382 (E_RNA) where: Base-Base interactions energy: -13.074 where: short stacking energy: -13.194 Base-Backbone interact. energy: -1.025 local terms energy: -21.686837 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -33.127343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127343 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.000 local terms energy: -23.044269 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -3.420 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -33.066546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.066546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.066546 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.000 local terms energy: -20.379509 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -30.979842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.979842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.979842 (E_RNA) where: Base-Base interactions energy: -11.790 where: short stacking energy: -11.790 Base-Backbone interact. energy: -0.143 local terms energy: -19.046709 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -30.338003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.338003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.338003 (E_RNA) where: Base-Base interactions energy: -10.550 where: short stacking energy: -10.550 Base-Backbone interact. energy: -0.004 local terms energy: -19.783830 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -2.677 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: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -29.678274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.678274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.678274 (E_RNA) where: Base-Base interactions energy: -10.207 where: short stacking energy: -10.207 Base-Backbone interact. energy: -0.002 local terms energy: -19.468707 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: 0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -40.318738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.318738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.318738 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.009 local terms energy: -27.014786 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -35.273132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.273132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.273132 (E_RNA) where: Base-Base interactions energy: -13.310 where: short stacking energy: -13.310 Base-Backbone interact. energy: -0.000 local terms energy: -21.962987 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -0.457 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -34.197097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.197097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.197097 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.056 local terms energy: -24.374649 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.803 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: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -33.306047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.306047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.306047 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -9.830 Base-Backbone interact. energy: -0.000 local terms energy: -22.909969 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -39.920709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.920709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.920709 (E_RNA) where: Base-Base interactions energy: -15.649 where: short stacking energy: -15.649 Base-Backbone interact. energy: -0.000 local terms energy: -24.271559 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -5.333 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: 301 Temperature: 1.150000 Total energy: -30.687648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.687648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.687648 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.038 local terms energy: -19.281541 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -32.520362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520362 (E_RNA) where: Base-Base interactions energy: -13.071 where: short stacking energy: -13.071 Base-Backbone interact. energy: -0.003 local terms energy: -19.446832 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -31.582455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582455 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.047 local terms energy: -21.937996 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -35.533913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.533913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.533913 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.063 local terms energy: -22.714125 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -28.962346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.962346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.962346 (E_RNA) where: Base-Base interactions energy: -9.146 where: short stacking energy: -9.146 Base-Backbone interact. energy: -0.127 local terms energy: -19.689965 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.411 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.339 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: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -38.434306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.434306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.434306 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.042 local terms energy: -24.696724 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -38.742123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.742123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.742123 (E_RNA) where: Base-Base interactions energy: -15.418 where: short stacking energy: -15.418 Base-Backbone interact. energy: 0.037 local terms energy: -23.361492 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -43.787547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.787547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.787547 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -17.150 Base-Backbone interact. energy: -0.000 local terms energy: -26.637115 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -33.387388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387388 (E_RNA) where: Base-Base interactions energy: -8.437 where: short stacking energy: -8.437 Base-Backbone interact. energy: -0.192 local terms energy: -24.758522 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -37.379707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.379707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.379707 (E_RNA) where: Base-Base interactions energy: -10.731 where: short stacking energy: -10.731 Base-Backbone interact. energy: -0.000 local terms energy: -26.648823 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -32.530894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.530894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.530894 (E_RNA) where: Base-Base interactions energy: -13.071 where: short stacking energy: -13.071 Base-Backbone interact. energy: -0.036 local terms energy: -19.423784 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -4.144 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -29.918368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.918368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.918368 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.958 local terms energy: -19.420115 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -37.346609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.346609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.346609 (E_RNA) where: Base-Base interactions energy: -15.115 where: short stacking energy: -15.115 Base-Backbone interact. energy: -0.001 local terms energy: -22.230791 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -2.248 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -30.663146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.663146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.663146 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.089 local terms energy: -21.904029 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -4.433 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: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -26.135353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.135353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.135353 (E_RNA) where: Base-Base interactions energy: -10.511 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.007 local terms energy: -15.617308 where: bonds (distance) C4'-P energy: -0.753 bonds (distance) P-C4' energy: -3.641 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -43.120528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.120528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.120528 (E_RNA) where: Base-Base interactions energy: -18.656 where: short stacking energy: -18.656 Base-Backbone interact. energy: -0.000 local terms energy: -24.464054 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -5.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -39.619322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.619322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.619322 (E_RNA) where: Base-Base interactions energy: -14.548 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.000 local terms energy: -25.071213 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.232 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: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -42.000980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.000980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.000980 (E_RNA) where: Base-Base interactions energy: -16.665 where: short stacking energy: -16.665 Base-Backbone interact. energy: -0.000 local terms energy: -25.335805 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -37.428149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.428149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.428149 (E_RNA) where: Base-Base interactions energy: -14.106 where: short stacking energy: -14.106 Base-Backbone interact. energy: -0.003 local terms energy: -23.319832 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -28.119646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.119646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.119646 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.006 local terms energy: -20.054887 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: 1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -33.654044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.654044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.654044 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -8.920 Base-Backbone interact. energy: -0.092 local terms energy: -24.642323 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -28.082681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.082681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.082681 (E_RNA) where: Base-Base interactions energy: -5.560 where: short stacking energy: -5.560 Base-Backbone interact. energy: -0.002 local terms energy: -22.520765 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -32.095144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.095144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.095144 (E_RNA) where: Base-Base interactions energy: -11.482 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.000 local terms energy: -20.613080 where: bonds (distance) C4'-P energy: -4.661 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -27.265749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.265749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.265749 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.469 Base-Backbone interact. energy: -0.000 local terms energy: -18.796342 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.827 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: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -27.465731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465731 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -11.045 Base-Backbone interact. energy: -0.073 local terms energy: -16.347638 where: bonds (distance) C4'-P energy: -0.181 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -41.636501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.636501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.636501 (E_RNA) where: Base-Base interactions energy: -13.525 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.000 local terms energy: -28.111501 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -39.593866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.593866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.593866 (E_RNA) where: Base-Base interactions energy: -14.122 where: short stacking energy: -14.122 Base-Backbone interact. energy: -0.007 local terms energy: -25.464269 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -36.422269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.422269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.422269 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.033 local terms energy: -22.619355 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -38.239309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.239309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.239309 (E_RNA) where: Base-Base interactions energy: -11.801 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.001 local terms energy: -26.437334 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -28.615516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.615516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.615516 (E_RNA) where: Base-Base interactions energy: -10.270 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.188 local terms energy: -18.157567 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -3.976 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.365 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: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -33.009191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.009191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.009191 (E_RNA) where: Base-Base interactions energy: -11.767 where: short stacking energy: -11.767 Base-Backbone interact. energy: -0.001 local terms energy: -21.241851 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.599 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: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -30.163261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.163261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.163261 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.000 local terms energy: -21.802682 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.810 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: 8, replica: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -31.208001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.208001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.208001 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.012 local terms energy: -22.921958 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.261 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -30.577262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.577262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.577262 (E_RNA) where: Base-Base interactions energy: -8.147 where: short stacking energy: -8.147 Base-Backbone interact. energy: -0.003 local terms energy: -22.426954 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -4.507 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: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -32.900812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.900812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.900812 (E_RNA) where: Base-Base interactions energy: -11.292 where: short stacking energy: -11.292 Base-Backbone interact. energy: -0.094 local terms energy: -21.515258 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.125 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: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -39.690726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.690726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.690726 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -16.222 Base-Backbone interact. energy: -0.000 local terms energy: -23.468147 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -39.572678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.572678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.572678 (E_RNA) where: Base-Base interactions energy: -15.913 where: short stacking energy: -15.913 Base-Backbone interact. energy: -0.032 local terms energy: -23.628148 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -40.040663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.040663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.040663 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.000 local terms energy: -27.039088 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -36.577221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.577221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.577221 (E_RNA) where: Base-Base interactions energy: -12.438 where: short stacking energy: -12.438 Base-Backbone interact. energy: -0.001 local terms energy: -24.138240 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -5.335 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: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -33.135919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.135919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.135919 (E_RNA) where: Base-Base interactions energy: -11.639 where: short stacking energy: -11.639 Base-Backbone interact. energy: -0.004 local terms energy: -21.493132 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -2.543 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: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -29.405225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.405225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.405225 (E_RNA) where: Base-Base interactions energy: -11.077 where: short stacking energy: -11.077 Base-Backbone interact. energy: -0.094 local terms energy: -18.234509 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -1.484 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: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -34.171680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.171680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.171680 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.000 local terms energy: -22.234231 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -32.941083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941083 (E_RNA) where: Base-Base interactions energy: -8.794 where: short stacking energy: -8.794 Base-Backbone interact. energy: -0.000 local terms energy: -24.147085 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -30.319512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.319512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.319512 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.007 local terms energy: -20.046514 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -1.709 flat angles P-C4'-P energy: -4.651 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: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -27.500478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.500478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.500478 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -8.288 Base-Backbone interact. energy: -0.080 local terms energy: -19.132603 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -3.942 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: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -39.992163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.992163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.992163 (E_RNA) where: Base-Base interactions energy: -17.776 where: short stacking energy: -17.776 Base-Backbone interact. energy: -0.013 local terms energy: -22.202799 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -1.583 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -37.954168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.954168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.954168 (E_RNA) where: Base-Base interactions energy: -15.291 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.004 local terms energy: -22.659864 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -34.677862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.677862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.677862 (E_RNA) where: Base-Base interactions energy: -15.703 where: short stacking energy: -15.703 Base-Backbone interact. energy: -0.000 local terms energy: -18.974833 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.370 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: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -33.942525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.942525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.942525 (E_RNA) where: Base-Base interactions energy: -13.065 where: short stacking energy: -13.065 Base-Backbone interact. energy: -0.015 local terms energy: -20.862619 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.998 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: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -39.676037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.676037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.676037 (E_RNA) where: Base-Base interactions energy: -14.169 where: short stacking energy: -14.169 Base-Backbone interact. energy: -0.000 local terms energy: -25.506729 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -31.054776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.054776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.054776 (E_RNA) where: Base-Base interactions energy: -14.224 where: short stacking energy: -14.224 Base-Backbone interact. energy: -0.068 local terms energy: -16.762848 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -2.223 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -31.390011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.390011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.390011 (E_RNA) where: Base-Base interactions energy: -10.045 where: short stacking energy: -10.045 Base-Backbone interact. energy: -0.179 local terms energy: -21.166347 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -29.251722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.251722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.251722 (E_RNA) where: Base-Base interactions energy: -9.298 where: short stacking energy: -9.298 Base-Backbone interact. energy: -0.006 local terms energy: -19.948020 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -4.207 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: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -30.772256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.772256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.772256 (E_RNA) where: Base-Base interactions energy: -7.802 where: short stacking energy: -7.802 Base-Backbone interact. energy: -0.191 local terms energy: -22.779000 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.417 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -28.097438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097438 (E_RNA) where: Base-Base interactions energy: -5.330 where: short stacking energy: -5.330 Base-Backbone interact. energy: -0.076 local terms energy: -22.692289 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.368 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: 307 Temperature: 0.900000 Total energy: -42.087881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.087881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.087881 (E_RNA) where: Base-Base interactions energy: -17.275 where: short stacking energy: -17.275 Base-Backbone interact. energy: -0.000 local terms energy: -24.812440 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -6.264 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: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -36.808862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.808862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.808862 (E_RNA) where: Base-Base interactions energy: -15.380 where: short stacking energy: -15.380 Base-Backbone interact. energy: 0.515 local terms energy: -21.944640 where: bonds (distance) C4'-P energy: -2.159 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -5.057 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: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -39.147602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.147602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.147602 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.000 local terms energy: -25.940134 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -36.290471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.290471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.290471 (E_RNA) where: Base-Base interactions energy: -13.082 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.001 local terms energy: -23.207261 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -34.055608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.055608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.055608 (E_RNA) where: Base-Base interactions energy: -9.235 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.000 local terms energy: -24.820581 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -32.146494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146494 (E_RNA) where: Base-Base interactions energy: -12.270 where: short stacking energy: -12.270 Base-Backbone interact. energy: -0.004 local terms energy: -19.872481 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -2.456 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: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -35.437767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.437767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.437767 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.001 local terms energy: -22.371168 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -38.205917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.205917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.205917 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.000 local terms energy: -24.093200 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -5.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -32.073361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.073361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.073361 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -13.204 Base-Backbone interact. energy: -0.000 local terms energy: -18.869642 where: bonds (distance) C4'-P energy: -4.252 bonds (distance) P-C4' energy: -3.803 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -29.801979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.801979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.801979 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.001 local terms energy: -20.974764 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -1.605 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: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -42.884666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.884666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.884666 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.001 local terms energy: -29.289946 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -38.044837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.044837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.044837 (E_RNA) where: Base-Base interactions energy: -13.990 where: short stacking energy: -13.992 Base-Backbone interact. energy: -0.028 local terms energy: -24.027049 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -39.585814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.585814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.585814 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.000 local terms energy: -26.239985 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -34.077098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.077098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.077098 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.013 local terms energy: -24.173279 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -4.680 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -36.284515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.284515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.284515 (E_RNA) where: Base-Base interactions energy: -13.556 where: short stacking energy: -13.556 Base-Backbone interact. energy: -0.075 local terms energy: -22.653190 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.975 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -32.408548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.408548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.408548 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.019 local terms energy: -20.486911 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: 0.732 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -30.349217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.349217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.349217 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.619 Base-Backbone interact. energy: -0.061 local terms energy: -20.668748 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -33.520675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.520675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.520675 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.022 local terms energy: -21.770899 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -2.258 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: 9, replica: 8 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -31.422238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.422238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.422238 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.000 local terms energy: -20.908817 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -30.892725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.892725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.892725 (E_RNA) where: Base-Base interactions energy: -8.510 where: short stacking energy: -8.510 Base-Backbone interact. energy: -0.007 local terms energy: -22.375595 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -3.790 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: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -42.090867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.090867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.090867 (E_RNA) where: Base-Base interactions energy: -17.870 where: short stacking energy: -17.870 Base-Backbone interact. energy: -0.000 local terms energy: -24.220461 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -42.740350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740350 (E_RNA) where: Base-Base interactions energy: -17.492 where: short stacking energy: -17.492 Base-Backbone interact. energy: -0.000 local terms energy: -25.248473 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.911 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: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -41.413295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.413295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.413295 (E_RNA) where: Base-Base interactions energy: -15.888 where: short stacking energy: -15.888 Base-Backbone interact. energy: -0.000 local terms energy: -25.525189 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -37.276766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.276766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.276766 (E_RNA) where: Base-Base interactions energy: -13.599 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.000 local terms energy: -23.677647 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -34.292733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.292733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.292733 (E_RNA) where: Base-Base interactions energy: -12.330 where: short stacking energy: -12.330 Base-Backbone interact. energy: -0.021 local terms energy: -21.941624 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -33.262330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.262330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.262330 (E_RNA) where: Base-Base interactions energy: -9.525 where: short stacking energy: -9.525 Base-Backbone interact. energy: -0.464 local terms energy: -23.273133 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -3.246 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: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -33.813302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.813302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.813302 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.017 local terms energy: -21.876022 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -34.919275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.919275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.919275 (E_RNA) where: Base-Base interactions energy: -16.429 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.000 local terms energy: -18.490604 where: bonds (distance) C4'-P energy: -3.750 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: 0.321 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -32.687209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.687209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.687209 (E_RNA) where: Base-Base interactions energy: -14.613 where: short stacking energy: -14.613 Base-Backbone interact. energy: -0.001 local terms energy: -18.073249 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -0.272 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -29.004221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004221 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.000 local terms energy: -19.310563 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -37.164028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.164028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.164028 (E_RNA) where: Base-Base interactions energy: -13.644 where: short stacking energy: -13.644 Base-Backbone interact. energy: -0.121 local terms energy: -23.398321 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.442 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: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -39.947796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.947796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.947796 (E_RNA) where: Base-Base interactions energy: -13.536 where: short stacking energy: -13.536 Base-Backbone interact. energy: -0.001 local terms energy: -26.410240 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.974 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: 3, replica: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -40.313345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.313345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.313345 (E_RNA) where: Base-Base interactions energy: -12.844 where: short stacking energy: -12.844 Base-Backbone interact. energy: -0.000 local terms energy: -27.469782 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -35.698889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.698889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.698889 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.000 local terms energy: -18.308132 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -2.181 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: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -34.858267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.858267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.858267 (E_RNA) where: Base-Base interactions energy: -17.828 where: short stacking energy: -17.828 Base-Backbone interact. energy: -0.002 local terms energy: -17.028654 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -3.684 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -1.218 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: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -30.830537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.830537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.830537 (E_RNA) where: Base-Base interactions energy: -11.316 where: short stacking energy: -11.316 Base-Backbone interact. energy: -0.000 local terms energy: -19.514844 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -36.905977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.905977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.905977 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.392 Base-Backbone interact. energy: -0.000 local terms energy: -22.513626 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.167 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -37.015545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.015545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.015545 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.000 local terms energy: -24.211296 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -33.233887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.233887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.233887 (E_RNA) where: Base-Base interactions energy: -8.585 where: short stacking energy: -8.585 Base-Backbone interact. energy: -0.000 local terms energy: -24.648911 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -29.222720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.222720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.222720 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: -6.923 Base-Backbone interact. energy: 0.831 local terms energy: -23.130596 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -39.756234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.756234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.756234 (E_RNA) where: Base-Base interactions energy: -17.160 where: short stacking energy: -14.130 Base-Backbone interact. energy: -0.790 local terms energy: -21.805929 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.061 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -44.023256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.023256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.023256 (E_RNA) where: Base-Base interactions energy: -18.545 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.000 local terms energy: -25.478139 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -35.800139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.800139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.800139 (E_RNA) where: Base-Base interactions energy: -11.077 where: short stacking energy: -11.077 Base-Backbone interact. energy: -0.000 local terms energy: -24.723427 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -35.007492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.007492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.007492 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: -0.006 local terms energy: -24.609157 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -34.587483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.587483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.587483 (E_RNA) where: Base-Base interactions energy: -14.499 where: short stacking energy: -14.499 Base-Backbone interact. energy: -0.000 local terms energy: -20.088553 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.976 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: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -37.008130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.008130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.008130 (E_RNA) where: Base-Base interactions energy: -11.718 where: short stacking energy: -11.718 Base-Backbone interact. energy: -0.068 local terms energy: -25.222173 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -5.155 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: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -34.160893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.160893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.160893 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.016 local terms energy: -23.975822 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.217 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: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -32.908732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.908732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.908732 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.000 local terms energy: -24.168551 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -32.680802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.680802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.680802 (E_RNA) where: Base-Base interactions energy: -10.986 where: short stacking energy: -9.485 Base-Backbone interact. energy: -0.209 local terms energy: -21.485643 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -30.361501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.361501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.361501 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.001 local terms energy: -21.724519 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -3.329 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -37.838505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.838505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.838505 (E_RNA) where: Base-Base interactions energy: -13.190 where: short stacking energy: -13.190 Base-Backbone interact. energy: -0.324 local terms energy: -24.324260 where: bonds (distance) C4'-P energy: -5.215 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.089 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: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -37.526016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.526016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.526016 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -12.144 Base-Backbone interact. energy: -0.001 local terms energy: -25.381348 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -5.208 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: 312 Temperature: 1.000000 Total energy: -35.756302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756302 (E_RNA) where: Base-Base interactions energy: -12.053 where: short stacking energy: -12.053 Base-Backbone interact. energy: -0.005 local terms energy: -23.698660 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -3.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -35.157792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.157792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.157792 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -1.784 local terms energy: -23.352556 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -35.695892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.695892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.695892 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.002 local terms energy: -22.328534 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -35.348163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.348163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.348163 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.055 local terms energy: -23.594449 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -33.655259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.655259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.655259 (E_RNA) where: Base-Base interactions energy: -13.973 where: short stacking energy: -13.973 Base-Backbone interact. energy: -0.002 local terms energy: -19.680167 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -3.177 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: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -26.849829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.849829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.849829 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.018 local terms energy: -20.263032 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.527 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -33.643339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.643339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.643339 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.040 local terms energy: -22.705583 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.906 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -27.708193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.708193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.708193 (E_RNA) where: Base-Base interactions energy: -6.943 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.005 local terms energy: -20.760460 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -42.347886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.347886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.347886 (E_RNA) where: Base-Base interactions energy: -18.409 where: short stacking energy: -18.409 Base-Backbone interact. energy: -0.099 local terms energy: -23.840472 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -41.111878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.111878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.111878 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.001 local terms energy: -27.210544 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -5.566 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: 3, replica: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -34.829838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.829838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.829838 (E_RNA) where: Base-Base interactions energy: -10.067 where: short stacking energy: -10.067 Base-Backbone interact. energy: -0.000 local terms energy: -24.762470 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.889 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: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -40.751263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.751263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.751263 (E_RNA) where: Base-Base interactions energy: -17.662 where: short stacking energy: -17.662 Base-Backbone interact. energy: -0.000 local terms energy: -23.089302 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -4.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -39.623645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.623645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.623645 (E_RNA) where: Base-Base interactions energy: -14.280 where: short stacking energy: -14.280 Base-Backbone interact. energy: -0.001 local terms energy: -25.343113 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -30.256239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.256239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.256239 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.118 local terms energy: -21.532417 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -32.614716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.614716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.614716 (E_RNA) where: Base-Base interactions energy: -9.920 where: short stacking energy: -9.920 Base-Backbone interact. energy: -0.000 local terms energy: -22.694459 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -4.971 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -29.137068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.137068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.137068 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: -8.813 Base-Backbone interact. energy: -0.001 local terms energy: -20.323047 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.506 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: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -32.983914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.983914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.983914 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: 0.742 local terms energy: -20.977183 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.715 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -31.456560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.456560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.456560 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.000 local terms energy: -18.457534 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -2.083 flat angles P-C4'-P energy: -2.542 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -36.907950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.907950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.907950 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.000 local terms energy: -24.142785 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.169 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: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -44.952834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.952834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.952834 (E_RNA) where: Base-Base interactions energy: -15.534 where: short stacking energy: -15.534 Base-Backbone interact. energy: -0.000 local terms energy: -29.419093 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -35.102885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.102885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.102885 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -12.708 Base-Backbone interact. energy: -0.000 local terms energy: -22.394786 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -3.949 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: 4, replica: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -36.300297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.300297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.300297 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.008 local terms energy: -23.402239 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.567 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: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -35.618085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.618085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.618085 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.001 local terms energy: -26.477532 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -33.338405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338405 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.000 local terms energy: -22.538993 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -31.134768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.134768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.134768 (E_RNA) where: Base-Base interactions energy: -12.441 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.109 local terms energy: -18.585399 where: bonds (distance) C4'-P energy: -3.022 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -2.791 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -31.865833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.865833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.865833 (E_RNA) where: Base-Base interactions energy: -9.235 where: short stacking energy: -9.235 Base-Backbone interact. energy: -0.000 local terms energy: -22.631075 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -28.516165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.516165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.516165 (E_RNA) where: Base-Base interactions energy: -10.181 where: short stacking energy: -10.181 Base-Backbone interact. energy: -0.001 local terms energy: -18.334177 where: bonds (distance) C4'-P energy: -2.408 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -28.133160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.133160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.133160 (E_RNA) where: Base-Base interactions energy: -9.910 where: short stacking energy: -9.910 Base-Backbone interact. energy: -0.164 local terms energy: -18.058726 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -0.549 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -37.001631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.001631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.001631 (E_RNA) where: Base-Base interactions energy: -12.381 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.018 local terms energy: -24.602143 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.895 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: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -41.760492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.760492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.760492 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -15.740 Base-Backbone interact. energy: -0.000 local terms energy: -26.020149 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -6.679 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: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -35.131766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131766 (E_RNA) where: Base-Base interactions energy: -11.621 where: short stacking energy: -11.621 Base-Backbone interact. energy: -0.003 local terms energy: -23.507893 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -2.835 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: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -29.875525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.875525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.875525 (E_RNA) where: Base-Base interactions energy: -8.327 where: short stacking energy: -8.327 Base-Backbone interact. energy: -0.128 local terms energy: -21.420438 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.934 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: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -33.790379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.790379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.790379 (E_RNA) where: Base-Base interactions energy: -10.071 where: short stacking energy: -10.071 Base-Backbone interact. energy: -0.003 local terms energy: -23.716548 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -3.886 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: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -30.039308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.039308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.039308 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.092 local terms energy: -22.350714 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.226 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: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -31.022908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.022908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.022908 (E_RNA) where: Base-Base interactions energy: -8.097 where: short stacking energy: -8.097 Base-Backbone interact. energy: -0.102 local terms energy: -22.823855 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.816 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: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -30.342476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.342476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.342476 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -8.508 Base-Backbone interact. energy: -1.072 local terms energy: -20.762642 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.144 flat angles P-C4'-P energy: -5.277 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -29.090411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.090411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.090411 (E_RNA) where: Base-Base interactions energy: -8.983 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.000 local terms energy: -20.106884 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: 0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -29.448258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.448258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.448258 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -8.538 Base-Backbone interact. energy: -0.005 local terms energy: -20.904675 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -42.953683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.953683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.953683 (E_RNA) where: Base-Base interactions energy: -16.050 where: short stacking energy: -16.050 Base-Backbone interact. energy: -0.004 local terms energy: -26.899472 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -35.608352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.608352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.608352 (E_RNA) where: Base-Base interactions energy: -12.705 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.000 local terms energy: -22.903333 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -3.495 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: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -35.162193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.162193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.162193 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: -0.009 local terms energy: -21.287771 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.295 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: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -35.507945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.507945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.507945 (E_RNA) where: Base-Base interactions energy: -13.446 where: short stacking energy: -13.446 Base-Backbone interact. energy: -0.059 local terms energy: -22.003005 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.211 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -33.708428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.708428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.708428 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.013 local terms energy: -20.938873 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.062 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: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -35.671142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671142 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.000 local terms energy: -23.759790 where: bonds (distance) C4'-P energy: -4.769 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -27.666142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.666142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.666142 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.000 local terms energy: -19.661394 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: 0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -27.827253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.827253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.827253 (E_RNA) where: Base-Base interactions energy: -10.272 where: short stacking energy: -10.272 Base-Backbone interact. energy: -0.189 local terms energy: -17.365806 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -2.806 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.310 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: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -29.184713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.184713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.184713 (E_RNA) where: Base-Base interactions energy: -13.015 where: short stacking energy: -13.015 Base-Backbone interact. energy: -0.148 local terms energy: -16.021146 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -4.733 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -1.100 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -30.291481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.291481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.291481 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.036 local terms energy: -17.469793 where: bonds (distance) C4'-P energy: -3.220 bonds (distance) P-C4' energy: -2.604 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -40.929826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.929826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.929826 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -15.848 Base-Backbone interact. energy: -0.001 local terms energy: -25.081140 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -34.472489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.472489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.472489 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.047 local terms energy: -20.794220 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -39.350744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.350744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.350744 (E_RNA) where: Base-Base interactions energy: -12.961 where: short stacking energy: -12.961 Base-Backbone interact. energy: -0.000 local terms energy: -26.389929 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -5.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -38.226433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.226433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.226433 (E_RNA) where: Base-Base interactions energy: -13.796 where: short stacking energy: -13.796 Base-Backbone interact. energy: -0.000 local terms energy: -24.430375 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -39.342903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.342903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.342903 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.069 local terms energy: -25.227653 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -30.994107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.994107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.994107 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.000 local terms energy: -19.661921 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.144 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.927 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: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -35.964194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.964194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.964194 (E_RNA) where: Base-Base interactions energy: -10.771 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.008 local terms energy: -25.185392 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -31.511940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.511940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.511940 (E_RNA) where: Base-Base interactions energy: -8.225 where: short stacking energy: -8.225 Base-Backbone interact. energy: -0.007 local terms energy: -23.279822 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -4.901 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: 9, replica: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -26.281623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.281623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.281623 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.050 local terms energy: -17.109221 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -1.233 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: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -32.180086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180086 (E_RNA) where: Base-Base interactions energy: -9.809 where: short stacking energy: -9.809 Base-Backbone interact. energy: -0.000 local terms energy: -22.370559 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -45.640924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640924 (E_RNA) where: Base-Base interactions energy: -17.691 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.000 local terms energy: -27.949703 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -40.284518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.284518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.284518 (E_RNA) where: Base-Base interactions energy: -14.388 where: short stacking energy: -14.388 Base-Backbone interact. energy: -0.026 local terms energy: -25.869668 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -43.546813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.546813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.546813 (E_RNA) where: Base-Base interactions energy: -18.587 where: short stacking energy: -18.587 Base-Backbone interact. energy: -0.000 local terms energy: -24.959451 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -33.037474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037474 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.000 local terms energy: -19.440739 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -3.736 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: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -34.462357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.462357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.462357 (E_RNA) where: Base-Base interactions energy: -11.511 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.000 local terms energy: -22.951479 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.264 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: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -33.180837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.180837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.180837 (E_RNA) where: Base-Base interactions energy: -12.680 where: short stacking energy: -12.680 Base-Backbone interact. energy: -0.018 local terms energy: -20.483154 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -2.111 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: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -34.601087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.601087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.601087 (E_RNA) where: Base-Base interactions energy: -12.530 where: short stacking energy: -12.530 Base-Backbone interact. energy: -0.000 local terms energy: -22.070653 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: 0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -32.780347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.780347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.780347 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.009 local terms energy: -21.064457 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -32.733368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.733368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.733368 (E_RNA) where: Base-Base interactions energy: -13.280 where: short stacking energy: -13.489 Base-Backbone interact. energy: -0.003 local terms energy: -19.449969 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -28.877699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.877699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.877699 (E_RNA) where: Base-Base interactions energy: -8.264 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.031 local terms energy: -20.581893 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.695 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: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -39.532782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532782 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.000 local terms energy: -25.551430 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.206 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: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -37.703972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.703972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.703972 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.000 local terms energy: -23.164067 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -40.486012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.486012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.486012 (E_RNA) where: Base-Base interactions energy: -16.004 where: short stacking energy: -16.004 Base-Backbone interact. energy: -0.000 local terms energy: -24.482357 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -4.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -34.866960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.866960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.866960 (E_RNA) where: Base-Base interactions energy: -13.832 where: short stacking energy: -13.832 Base-Backbone interact. energy: -0.002 local terms energy: -21.032474 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -3.688 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: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -33.837755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.837755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.837755 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.022 local terms energy: -23.107487 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -35.181863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.181863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.181863 (E_RNA) where: Base-Base interactions energy: -13.218 where: short stacking energy: -13.218 Base-Backbone interact. energy: -0.045 local terms energy: -21.919514 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.353 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: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -31.204982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.204982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.204982 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -9.203 Base-Backbone interact. energy: -0.001 local terms energy: -22.001328 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -32.511910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.511910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.511910 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.001 local terms energy: -22.928540 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -29.973999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973999 (E_RNA) where: Base-Base interactions energy: -7.061 where: short stacking energy: -7.061 Base-Backbone interact. energy: -0.000 local terms energy: -22.912663 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.249 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.579 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: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -30.366534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.366534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.366534 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -1.456 local terms energy: -18.206424 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -3.340 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: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -43.259478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.259478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.259478 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -16.924 Base-Backbone interact. energy: -0.030 local terms energy: -26.305539 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -40.327954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.327954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.327954 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.001 local terms energy: -27.415262 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -35.570489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.570489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.570489 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -9.972 Base-Backbone interact. energy: 0.283 local terms energy: -24.666978 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -4.582 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: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -35.988978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.988978 (E_RNA) where: Base-Base interactions energy: -13.970 where: short stacking energy: -13.970 Base-Backbone interact. energy: -0.001 local terms energy: -22.018704 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.651 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: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -36.918061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918061 (E_RNA) where: Base-Base interactions energy: -14.415 where: short stacking energy: -14.415 Base-Backbone interact. energy: -0.032 local terms energy: -22.471155 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.399 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: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -31.723284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.723284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.723284 (E_RNA) where: Base-Base interactions energy: -11.878 where: short stacking energy: -11.878 Base-Backbone interact. energy: -0.000 local terms energy: -19.845152 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -2.575 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: 7, replica: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -33.110095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.110095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.110095 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.002 local terms energy: -23.542549 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.985 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: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -36.147487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.147487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.147487 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.010 local terms energy: -22.382677 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -28.498568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.498568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.498568 (E_RNA) where: Base-Base interactions energy: -8.374 where: short stacking energy: -8.374 Base-Backbone interact. energy: -0.161 local terms energy: -19.963670 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -2.528 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: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -30.477074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.477074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.477074 (E_RNA) where: Base-Base interactions energy: -9.570 where: short stacking energy: -9.570 Base-Backbone interact. energy: -0.000 local terms energy: -20.907461 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -3.745 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: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -44.380219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.380219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.380219 (E_RNA) where: Base-Base interactions energy: -17.797 where: short stacking energy: -17.797 Base-Backbone interact. energy: -0.000 local terms energy: -26.582939 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -43.210331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.210331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.210331 (E_RNA) where: Base-Base interactions energy: -15.967 where: short stacking energy: -15.967 Base-Backbone interact. energy: -0.000 local terms energy: -27.242782 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -38.305738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305738 (E_RNA) where: Base-Base interactions energy: -14.434 where: short stacking energy: -14.434 Base-Backbone interact. energy: -0.001 local terms energy: -23.870671 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -5.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -35.568068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568068 (E_RNA) where: Base-Base interactions energy: -14.092 where: short stacking energy: -14.092 Base-Backbone interact. energy: -0.000 local terms energy: -21.475784 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -38.014536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.014536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.014536 (E_RNA) where: Base-Base interactions energy: -16.882 where: short stacking energy: -16.882 Base-Backbone interact. energy: -0.001 local terms energy: -21.131491 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -33.625835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.625835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.625835 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -12.500 Base-Backbone interact. energy: -0.000 local terms energy: -21.125062 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.868 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.303 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -32.434185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434185 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.002 local terms energy: -23.296697 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -33.681192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.681192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.681192 (E_RNA) where: Base-Base interactions energy: -9.867 where: short stacking energy: -9.867 Base-Backbone interact. energy: -0.000 local terms energy: -23.814017 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -30.639870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.639870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.639870 (E_RNA) where: Base-Base interactions energy: -7.681 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.000 local terms energy: -22.958694 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -33.754626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.754626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.754626 (E_RNA) where: Base-Base interactions energy: -9.882 where: short stacking energy: -9.882 Base-Backbone interact. energy: -0.044 local terms energy: -23.828434 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -3.782 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: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -40.790341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.790341 (E_RNA) where: Base-Base interactions energy: -16.164 where: short stacking energy: -16.164 Base-Backbone interact. energy: -0.008 local terms energy: -24.618494 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -38.657085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.657085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.657085 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -26.708114 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.785 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: 3, replica: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -33.213397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.213397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.213397 (E_RNA) where: Base-Base interactions energy: -9.116 where: short stacking energy: -9.116 Base-Backbone interact. energy: -0.012 local terms energy: -24.086004 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -34.111707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.111707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.111707 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: -0.024 local terms energy: -23.656823 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.786 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: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -33.782110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.782110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.782110 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.145 local terms energy: -19.776426 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -29.376566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.376566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.376566 (E_RNA) where: Base-Base interactions energy: -8.983 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.000 local terms energy: -20.393824 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -31.867750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.867750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.867750 (E_RNA) where: Base-Base interactions energy: -11.630 where: short stacking energy: -11.630 Base-Backbone interact. energy: -0.201 local terms energy: -20.036371 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -1.574 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -30.491142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491142 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.001 local terms energy: -20.137013 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -4.340 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: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -29.306697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.306697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.306697 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.000 local terms energy: -17.337680 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -2.269 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -28.181550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.181550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.181550 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.000 local terms energy: -16.619585 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -1.250 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -39.571258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.571258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.571258 (E_RNA) where: Base-Base interactions energy: -16.280 where: short stacking energy: -16.280 Base-Backbone interact. energy: -0.004 local terms energy: -23.287029 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -39.136338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.136338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.136338 (E_RNA) where: Base-Base interactions energy: -13.364 where: short stacking energy: -13.364 Base-Backbone interact. energy: -0.002 local terms energy: -25.769915 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -36.996101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.996101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.996101 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: 0.145 local terms energy: -25.564103 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -5.149 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: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -38.962547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.962547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.962547 (E_RNA) where: Base-Base interactions energy: -16.318 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.000 local terms energy: -22.644620 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -33.086881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086881 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -10.052 Base-Backbone interact. energy: -0.486 local terms energy: -22.749132 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -5.193 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: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -29.637049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.637049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.637049 (E_RNA) where: Base-Base interactions energy: -9.258 where: short stacking energy: -9.258 Base-Backbone interact. energy: -0.088 local terms energy: -20.290246 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.020 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: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -33.068228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.068228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.068228 (E_RNA) where: Base-Base interactions energy: -10.261 where: short stacking energy: -10.261 Base-Backbone interact. energy: -0.001 local terms energy: -22.806044 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -27.994405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.994405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.994405 (E_RNA) where: Base-Base interactions energy: -10.226 where: short stacking energy: -8.513 Base-Backbone interact. energy: -0.262 local terms energy: -17.505507 where: bonds (distance) C4'-P energy: -3.970 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -2.310 flat angles P-C4'-P energy: -4.703 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: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -29.285815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.285815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.285815 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.080 local terms energy: -19.571540 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -2.985 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: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -30.413713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.413713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.413713 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.002 local terms energy: -17.886248 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -37.309075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.309075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.309075 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.061 local terms energy: -24.027399 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -4.617 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: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -39.003949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.003949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.003949 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.000 local terms energy: -25.579259 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -40.988447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.988447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.988447 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: -0.000 local terms energy: -27.122520 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -35.186628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.186628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.186628 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.005 local terms energy: -21.680261 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -2.761 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: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -35.833515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.833515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.833515 (E_RNA) where: Base-Base interactions energy: -12.618 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.000 local terms energy: -23.215462 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -33.333826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.333826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.333826 (E_RNA) where: Base-Base interactions energy: -12.887 where: short stacking energy: -12.887 Base-Backbone interact. energy: -0.013 local terms energy: -20.434235 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -31.820690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.820690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.820690 (E_RNA) where: Base-Base interactions energy: -8.929 where: short stacking energy: -8.929 Base-Backbone interact. energy: -0.094 local terms energy: -22.797635 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.772 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: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -27.514632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.514632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.514632 (E_RNA) where: Base-Base interactions energy: -8.406 where: short stacking energy: -8.406 Base-Backbone interact. energy: -0.090 local terms energy: -19.018651 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -34.744931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.744931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.744931 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.001 local terms energy: -21.628413 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -31.188807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.188807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.188807 (E_RNA) where: Base-Base interactions energy: -10.463 where: short stacking energy: -10.463 Base-Backbone interact. energy: -0.026 local terms energy: -20.700022 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.736 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.529 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: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -44.234873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.234873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.234873 (E_RNA) where: Base-Base interactions energy: -15.819 where: short stacking energy: -15.819 Base-Backbone interact. energy: -0.000 local terms energy: -28.415437 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -38.623121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.623121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.623121 (E_RNA) where: Base-Base interactions energy: -12.705 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.012 local terms energy: -25.905959 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -36.956418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.956418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.956418 (E_RNA) where: Base-Base interactions energy: -17.165 where: short stacking energy: -17.165 Base-Backbone interact. energy: -0.004 local terms energy: -19.788108 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -0.045 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: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -37.832875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.832875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.832875 (E_RNA) where: Base-Base interactions energy: -12.914 where: short stacking energy: -12.914 Base-Backbone interact. energy: -0.040 local terms energy: -24.878307 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -4.471 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: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -35.946874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.946874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.946874 (E_RNA) where: Base-Base interactions energy: -14.252 where: short stacking energy: -14.252 Base-Backbone interact. energy: -0.089 local terms energy: -21.606447 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.523 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: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -30.185879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.185879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.185879 (E_RNA) where: Base-Base interactions energy: -8.956 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.000 local terms energy: -21.229756 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -3.214 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: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -33.635020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.635020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.635020 (E_RNA) where: Base-Base interactions energy: -12.329 where: short stacking energy: -12.329 Base-Backbone interact. energy: -0.000 local terms energy: -21.305378 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -5.126 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: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -33.032032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.032032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.032032 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.000 local terms energy: -22.453914 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -4.650 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -26.913668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.913668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.913668 (E_RNA) where: Base-Base interactions energy: -9.243 where: short stacking energy: -9.243 Base-Backbone interact. energy: -0.076 local terms energy: -17.595237 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -3.224 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -27.536375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.536375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.536375 (E_RNA) where: Base-Base interactions energy: -9.840 where: short stacking energy: -9.840 Base-Backbone interact. energy: 0.862 local terms energy: -18.557634 where: bonds (distance) C4'-P energy: -2.466 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.056 flat angles P-C4'-P energy: -2.232 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: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -40.526799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.526799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.526799 (E_RNA) where: Base-Base interactions energy: -13.871 where: short stacking energy: -13.871 Base-Backbone interact. energy: -0.042 local terms energy: -26.614116 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.686 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: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -32.963167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.963167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.963167 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.733 Base-Backbone interact. energy: -0.001 local terms energy: -21.229381 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -41.710851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.710851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.710851 (E_RNA) where: Base-Base interactions energy: -16.139 where: short stacking energy: -16.139 Base-Backbone interact. energy: -0.000 local terms energy: -25.571974 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -35.372743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.372743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.372743 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -1.004 local terms energy: -20.525553 where: bonds (distance) C4'-P energy: -3.291 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -4.866 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: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -33.846258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.846258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.846258 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.000 local terms energy: -23.612622 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -33.360450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.360450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.360450 (E_RNA) where: Base-Base interactions energy: -9.452 where: short stacking energy: -9.452 Base-Backbone interact. energy: -0.000 local terms energy: -23.908118 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -33.435971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.435971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.435971 (E_RNA) where: Base-Base interactions energy: -10.686 where: short stacking energy: -10.686 Base-Backbone interact. energy: -0.012 local terms energy: -22.737568 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -2.509 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: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -32.150361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.150361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.150361 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.059 local terms energy: -21.559646 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -5.245 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: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -32.513426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.513426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.513426 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.022 local terms energy: -22.034549 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.842 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -34.241746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.241746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.241746 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.001 local terms energy: -20.481473 where: bonds (distance) C4'-P energy: -2.587 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -43.666990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666990 (E_RNA) where: Base-Base interactions energy: -18.875 where: short stacking energy: -18.875 Base-Backbone interact. energy: -0.087 local terms energy: -24.704937 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -39.299632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.299632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.299632 (E_RNA) where: Base-Base interactions energy: -11.676 where: short stacking energy: -11.676 Base-Backbone interact. energy: -0.000 local terms energy: -27.623397 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -41.834920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.834920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.834920 (E_RNA) where: Base-Base interactions energy: -17.138 where: short stacking energy: -17.138 Base-Backbone interact. energy: -0.007 local terms energy: -24.689382 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -39.673213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.673213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.673213 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.003 local terms energy: -26.900464 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -34.183110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.183110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.183110 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.002 local terms energy: -22.449314 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.598 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: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -34.436793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.436793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.436793 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.965 Base-Backbone interact. energy: -0.091 local terms energy: -21.380236 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.673 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: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -28.530950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.530950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.530950 (E_RNA) where: Base-Base interactions energy: -8.414 where: short stacking energy: -8.414 Base-Backbone interact. energy: -0.145 local terms energy: -19.972529 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: 1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -36.131209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.131209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.131209 (E_RNA) where: Base-Base interactions energy: -17.448 where: short stacking energy: -17.448 Base-Backbone interact. energy: -0.001 local terms energy: -18.682864 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -1.719 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: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -29.728768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.728768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.728768 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.026 local terms energy: -22.537317 where: bonds (distance) C4'-P energy: -2.872 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.798 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: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -28.381436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381436 (E_RNA) where: Base-Base interactions energy: -9.678 where: short stacking energy: -9.678 Base-Backbone interact. energy: -0.012 local terms energy: -18.692183 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -2.749 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: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -39.620099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.620099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.620099 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.001 local terms energy: -23.678887 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -38.121522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.121522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.121522 (E_RNA) where: Base-Base interactions energy: -14.189 where: short stacking energy: -14.189 Base-Backbone interact. energy: -0.154 local terms energy: -23.779163 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -37.806265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.806265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.806265 (E_RNA) where: Base-Base interactions energy: -13.782 where: short stacking energy: -13.782 Base-Backbone interact. energy: -0.000 local terms energy: -24.024241 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -36.692726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.692726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.692726 (E_RNA) where: Base-Base interactions energy: -12.949 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.071 local terms energy: -23.672609 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -32.439520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.439520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.439520 (E_RNA) where: Base-Base interactions energy: -9.517 where: short stacking energy: -9.517 Base-Backbone interact. energy: -0.038 local terms energy: -22.884016 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -34.837104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.837104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.837104 (E_RNA) where: Base-Base interactions energy: -15.030 where: short stacking energy: -15.030 Base-Backbone interact. energy: -0.000 local terms energy: -19.806518 where: bonds (distance) C4'-P energy: -1.725 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.843 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: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -32.792060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.792060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.792060 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.087 local terms energy: -23.984128 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -29.888444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.888444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.888444 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.006 local terms energy: -21.485777 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -5.630 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: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -29.712384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712384 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.000 local terms energy: -16.627961 where: bonds (distance) C4'-P energy: -2.865 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -1.845 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -31.987776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.987776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.987776 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.085 local terms energy: -20.863137 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -37.001568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.001568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.001568 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.000 local terms energy: -23.765819 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -39.802352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.802352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.802352 (E_RNA) where: Base-Base interactions energy: -14.055 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.000 local terms energy: -25.747244 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -40.053805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.053805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.053805 (E_RNA) where: Base-Base interactions energy: -14.896 where: short stacking energy: -14.896 Base-Backbone interact. energy: -0.000 local terms energy: -25.157521 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -34.711941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.711941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.711941 (E_RNA) where: Base-Base interactions energy: -13.943 where: short stacking energy: -13.943 Base-Backbone interact. energy: -0.000 local terms energy: -20.768798 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -30.879392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.879392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.879392 (E_RNA) where: Base-Base interactions energy: -9.109 where: short stacking energy: -9.109 Base-Backbone interact. energy: -0.082 local terms energy: -21.687819 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -30.259734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.259734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.259734 (E_RNA) where: Base-Base interactions energy: -12.090 where: short stacking energy: -12.090 Base-Backbone interact. energy: -0.011 local terms energy: -18.158535 where: bonds (distance) C4'-P energy: -2.748 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -35.656611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656611 (E_RNA) where: Base-Base interactions energy: -13.053 where: short stacking energy: -13.053 Base-Backbone interact. energy: -0.001 local terms energy: -22.602472 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -31.889845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.889845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.889845 (E_RNA) where: Base-Base interactions energy: -8.568 where: short stacking energy: -8.568 Base-Backbone interact. energy: -0.005 local terms energy: -23.317432 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.933 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: 9, replica: 8 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -34.971424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.971424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.971424 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.815 local terms energy: -23.571756 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -27.865428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.865428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.865428 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.012 local terms energy: -18.635743 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -2.705 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: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -39.008394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.008394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.008394 (E_RNA) where: Base-Base interactions energy: -17.419 where: short stacking energy: -14.252 Base-Backbone interact. energy: -0.096 local terms energy: -21.493439 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.430 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: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -45.164333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.164333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.164333 (E_RNA) where: Base-Base interactions energy: -16.749 where: short stacking energy: -16.749 Base-Backbone interact. energy: -0.000 local terms energy: -28.415771 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -36.185849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.185849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.185849 (E_RNA) where: Base-Base interactions energy: -14.623 where: short stacking energy: -15.991 Base-Backbone interact. energy: -0.021 local terms energy: -21.542417 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.832 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: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -35.743020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.743020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.743020 (E_RNA) where: Base-Base interactions energy: -14.609 where: short stacking energy: -14.609 Base-Backbone interact. energy: -0.019 local terms energy: -21.115355 where: bonds (distance) C4'-P energy: -1.867 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -30.163832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.163832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.163832 (E_RNA) where: Base-Base interactions energy: -8.504 where: short stacking energy: -8.504 Base-Backbone interact. energy: 0.702 local terms energy: -22.361462 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.119 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: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -34.717366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.717366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.717366 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.899 local terms energy: -22.696935 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -32.643991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643991 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.007 local terms energy: -24.749686 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -37.222626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.222626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.222626 (E_RNA) where: Base-Base interactions energy: -13.879 where: short stacking energy: -13.879 Base-Backbone interact. energy: -0.001 local terms energy: -23.343032 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.775 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: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -26.893325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.893325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.893325 (E_RNA) where: Base-Base interactions energy: -5.840 where: short stacking energy: -5.840 Base-Backbone interact. energy: -0.039 local terms energy: -21.014432 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: 0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -30.281644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.281644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.281644 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.001 local terms energy: -21.567872 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -1.345 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: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -35.893517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.893517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.893517 (E_RNA) where: Base-Base interactions energy: -12.327 where: short stacking energy: -12.327 Base-Backbone interact. energy: -0.086 local terms energy: -23.479717 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -33.439734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.439734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.439734 (E_RNA) where: Base-Base interactions energy: -14.055 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.057 local terms energy: -19.328182 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -2.999 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: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -39.928040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.928040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.928040 (E_RNA) where: Base-Base interactions energy: -15.926 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.000 local terms energy: -24.002025 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -37.527511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.527511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.527511 (E_RNA) where: Base-Base interactions energy: -12.040 where: short stacking energy: -12.040 Base-Backbone interact. energy: -0.010 local terms energy: -25.477589 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -36.762617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.762617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.762617 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -16.211 Base-Backbone interact. energy: -0.103 local terms energy: -20.448497 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -3.395 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -38.017354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.017354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.017354 (E_RNA) where: Base-Base interactions energy: -12.016 where: short stacking energy: -12.016 Base-Backbone interact. energy: 0.269 local terms energy: -26.269653 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -32.389455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389455 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.002 local terms energy: -22.807995 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -32.943290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.943290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.943290 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.097 local terms energy: -23.483678 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -31.289738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.289738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.289738 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.001 local terms energy: -21.192834 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -0.657 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: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -30.887559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887559 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.006 local terms energy: -23.734701 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.157 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: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -38.822680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.822680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.822680 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.015 local terms energy: -24.365449 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -38.906702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.906702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.906702 (E_RNA) where: Base-Base interactions energy: -15.219 where: short stacking energy: -15.219 Base-Backbone interact. energy: -0.000 local terms energy: -23.687471 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -35.648259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.648259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.648259 (E_RNA) where: Base-Base interactions energy: -13.682 where: short stacking energy: -13.682 Base-Backbone interact. energy: -0.000 local terms energy: -21.966482 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -38.555432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.555432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.555432 (E_RNA) where: Base-Base interactions energy: -14.992 where: short stacking energy: -14.992 Base-Backbone interact. energy: -0.000 local terms energy: -23.563875 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -38.708102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.708102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.708102 (E_RNA) where: Base-Base interactions energy: -16.566 where: short stacking energy: -16.566 Base-Backbone interact. energy: -0.033 local terms energy: -22.109130 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -1.215 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: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -38.683094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.683094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.683094 (E_RNA) where: Base-Base interactions energy: -17.771 where: short stacking energy: -17.771 Base-Backbone interact. energy: -0.002 local terms energy: -20.910867 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -32.333467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.333467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.333467 (E_RNA) where: Base-Base interactions energy: -8.389 where: short stacking energy: -8.389 Base-Backbone interact. energy: -0.014 local terms energy: -23.930047 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.486 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: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -31.515575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.515575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.515575 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -11.540 Base-Backbone interact. energy: -0.369 local terms energy: -18.267971 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.592 flat angles C4'-P-C4' energy: -3.501 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -29.902507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.902507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.902507 (E_RNA) where: Base-Base interactions energy: -9.252 where: short stacking energy: -9.965 Base-Backbone interact. energy: -0.068 local terms energy: -20.582542 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -3.324 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: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -35.115920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.115920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.115920 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.099 local terms energy: -23.246175 where: bonds (distance) C4'-P energy: -2.660 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -4.987 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: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -40.205558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.205558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.205558 (E_RNA) where: Base-Base interactions energy: -14.863 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.000 local terms energy: -25.342591 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -38.388433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.388433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.388433 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -16.478 Base-Backbone interact. energy: -0.106 local terms energy: -21.803501 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -1.978 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: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -34.047441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.047441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.047441 (E_RNA) where: Base-Base interactions energy: -12.308 where: short stacking energy: -12.308 Base-Backbone interact. energy: -0.100 local terms energy: -21.639471 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -5.345 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: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -35.789093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.789093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.789093 (E_RNA) where: Base-Base interactions energy: -13.061 where: short stacking energy: -13.061 Base-Backbone interact. energy: -0.039 local terms energy: -22.688916 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.333 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: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -31.151374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.151374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.151374 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.071 local terms energy: -23.267837 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -3.802 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: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -34.579388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.579388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.579388 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.037 local terms energy: -21.071294 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.029 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: 7, replica: 2 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -33.340315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.340315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.340315 (E_RNA) where: Base-Base interactions energy: -13.603 where: short stacking energy: -13.603 Base-Backbone interact. energy: -0.003 local terms energy: -19.733712 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -2.434 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -35.990076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.990076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.990076 (E_RNA) where: Base-Base interactions energy: -12.838 where: short stacking energy: -12.838 Base-Backbone interact. energy: 0.511 local terms energy: -23.662443 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -35.165684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.165684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.165684 (E_RNA) where: Base-Base interactions energy: -14.061 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.001 local terms energy: -21.103612 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.662 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -29.264462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.264462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.264462 (E_RNA) where: Base-Base interactions energy: -8.366 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.001 local terms energy: -20.897652 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -2.787 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -38.807746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.807746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.807746 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.005 local terms energy: -24.451328 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.593 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: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -40.324547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.324547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.324547 (E_RNA) where: Base-Base interactions energy: -17.024 where: short stacking energy: -17.024 Base-Backbone interact. energy: -0.000 local terms energy: -23.300065 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -37.975785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.975785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.975785 (E_RNA) where: Base-Base interactions energy: -17.258 where: short stacking energy: -17.258 Base-Backbone interact. energy: -0.000 local terms energy: -20.717413 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.573 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -40.244196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.244196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.244196 (E_RNA) where: Base-Base interactions energy: -13.584 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.004 local terms energy: -26.656135 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -33.714696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.714696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.714696 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.014 local terms energy: -23.568885 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -35.060849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.060849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.060849 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.001 local terms energy: -23.534297 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.933 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -30.151516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.151516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.151516 (E_RNA) where: Base-Base interactions energy: -10.158 where: short stacking energy: -10.158 Base-Backbone interact. energy: -0.005 local terms energy: -19.988361 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: 0.115 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -31.059627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.059627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.059627 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.001 local terms energy: -20.918344 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -28.262976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262976 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.006 local terms energy: -21.231622 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -36.442107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.442107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.442107 (E_RNA) where: Base-Base interactions energy: -13.234 where: short stacking energy: -13.234 Base-Backbone interact. energy: -0.002 local terms energy: -23.206565 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -4.671 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: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -37.907086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.907086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.907086 (E_RNA) where: Base-Base interactions energy: -13.983 where: short stacking energy: -13.983 Base-Backbone interact. energy: -0.073 local terms energy: -23.850430 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -36.100891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.100891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.100891 (E_RNA) where: Base-Base interactions energy: -16.070 where: short stacking energy: -16.070 Base-Backbone interact. energy: -0.004 local terms energy: -20.026851 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.144 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.214 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: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -34.550943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.550943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.550943 (E_RNA) where: Base-Base interactions energy: -9.581 where: short stacking energy: -9.581 Base-Backbone interact. energy: -0.128 local terms energy: -24.841307 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.256 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: 4, replica: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -33.996919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.996919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.996919 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.000 local terms energy: -24.447469 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -31.206556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.206556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.206556 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.100 local terms energy: -21.646447 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.081 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: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -35.138662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138662 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.000 local terms energy: -22.714526 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -1.262 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -28.147159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.147159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.147159 (E_RNA) where: Base-Base interactions energy: -9.148 where: short stacking energy: -9.148 Base-Backbone interact. energy: -0.003 local terms energy: -18.996547 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -28.234782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.234782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.234782 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.077 local terms energy: -20.234125 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -31.007834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.007834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.007834 (E_RNA) where: Base-Base interactions energy: -10.731 where: short stacking energy: -10.731 Base-Backbone interact. energy: -0.038 local terms energy: -20.238412 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.361 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: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -32.107856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.107856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.107856 (E_RNA) where: Base-Base interactions energy: -13.339 where: short stacking energy: -13.339 Base-Backbone interact. energy: -0.000 local terms energy: -18.768928 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -38.103060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.103060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.103060 (E_RNA) where: Base-Base interactions energy: -12.643 where: short stacking energy: -12.643 Base-Backbone interact. energy: -0.000 local terms energy: -25.459959 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -5.562 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: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -40.432259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.432259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.432259 (E_RNA) where: Base-Base interactions energy: -14.556 where: short stacking energy: -14.556 Base-Backbone interact. energy: -0.002 local terms energy: -25.875121 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -33.847921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.847921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.847921 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.055 local terms energy: -21.440551 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -32.170754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170754 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.008 local terms energy: -18.321211 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -3.339 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: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -36.495219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.495219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.495219 (E_RNA) where: Base-Base interactions energy: -10.412 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.000 local terms energy: -26.083087 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -3.858 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: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -30.351705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.351705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.351705 (E_RNA) where: Base-Base interactions energy: -7.577 where: short stacking energy: -7.577 Base-Backbone interact. energy: -0.097 local terms energy: -22.678241 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -4.838 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: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -32.797443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.797443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.797443 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.868 Base-Backbone interact. energy: -0.000 local terms energy: -20.929512 where: bonds (distance) C4'-P energy: -2.173 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -29.223602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.223602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.223602 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.012 local terms energy: -19.751931 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -28.858556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.858556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.858556 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.096 local terms energy: -21.682186 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -29.940109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.940109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.940109 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: -0.000 local terms energy: -16.022295 where: bonds (distance) C4'-P energy: -3.261 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -0.512 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -40.423660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.423660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.423660 (E_RNA) where: Base-Base interactions energy: -16.754 where: short stacking energy: -16.754 Base-Backbone interact. energy: -0.000 local terms energy: -23.669550 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -2.880 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -34.991321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.991321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.991321 (E_RNA) where: Base-Base interactions energy: -11.181 where: short stacking energy: -11.181 Base-Backbone interact. energy: -0.044 local terms energy: -23.766602 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.974 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: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -36.075019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075019 (E_RNA) where: Base-Base interactions energy: -14.048 where: short stacking energy: -14.048 Base-Backbone interact. energy: -0.392 local terms energy: -21.635190 where: bonds (distance) C4'-P energy: -1.557 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.161 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: 4, replica: 6 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -37.034653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.034653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.034653 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: 0.194 local terms energy: -24.185416 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.231 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: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -37.469471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.469471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.469471 (E_RNA) where: Base-Base interactions energy: -13.319 where: short stacking energy: -13.319 Base-Backbone interact. energy: -0.000 local terms energy: -24.150789 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -2.330 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: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -37.924161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.924161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.924161 (E_RNA) where: Base-Base interactions energy: -14.650 where: short stacking energy: -14.650 Base-Backbone interact. energy: -0.023 local terms energy: -23.251737 where: bonds (distance) C4'-P energy: -2.392 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -4.957 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: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -34.771863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.771863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.771863 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.086 local terms energy: -23.579132 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -32.488415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.488415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.488415 (E_RNA) where: Base-Base interactions energy: -12.451 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.002 local terms energy: -20.035743 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -1.474 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -32.499936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.499936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.499936 (E_RNA) where: Base-Base interactions energy: -11.712 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.787 local terms energy: -20.001620 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -32.008887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.008887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.008887 (E_RNA) where: Base-Base interactions energy: -9.990 where: short stacking energy: -9.990 Base-Backbone interact. energy: -0.001 local terms energy: -22.017759 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -41.954153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.954153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.954153 (E_RNA) where: Base-Base interactions energy: -15.213 where: short stacking energy: -15.213 Base-Backbone interact. energy: -0.000 local terms energy: -26.741296 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -3.983 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: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -45.164747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.164747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.164747 (E_RNA) where: Base-Base interactions energy: -14.927 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.000 local terms energy: -30.237387 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -7.057 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: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -37.514284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.514284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.514284 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: -0.000 local terms energy: -24.810327 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -29.830462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830462 (E_RNA) where: Base-Base interactions energy: -9.014 where: short stacking energy: -9.014 Base-Backbone interact. energy: -0.133 local terms energy: -20.683226 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -38.313549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.313549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.313549 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.000 local terms energy: -24.614588 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -31.063119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.063119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.063119 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.086 local terms energy: -23.922222 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.137 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -33.246703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.246703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.246703 (E_RNA) where: Base-Base interactions energy: -12.414 where: short stacking energy: -12.414 Base-Backbone interact. energy: -0.000 local terms energy: -20.832092 where: bonds (distance) C4'-P energy: -3.414 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.055 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: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -30.812480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.812480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.812480 (E_RNA) where: Base-Base interactions energy: -9.559 where: short stacking energy: -9.559 Base-Backbone interact. energy: -0.021 local terms energy: -21.231964 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: 2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -32.993895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.993895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.993895 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.000 local terms energy: -22.004905 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -28.170544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.170544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.170544 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.001 local terms energy: -19.750331 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.637 flat angles C4'-P-C4' energy: -2.917 flat angles P-C4'-P energy: -4.442 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: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -39.529823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.529823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.529823 (E_RNA) where: Base-Base interactions energy: -13.669 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.074 local terms energy: -25.786248 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -3.443 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: 2, replica: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -42.681893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.681893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.681893 (E_RNA) where: Base-Base interactions energy: -14.210 where: short stacking energy: -14.210 Base-Backbone interact. energy: -0.000 local terms energy: -28.472175 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -6.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -36.887438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.887438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.887438 (E_RNA) where: Base-Base interactions energy: -13.966 where: short stacking energy: -13.966 Base-Backbone interact. energy: -0.056 local terms energy: -22.865164 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -39.402669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.402669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.402669 (E_RNA) where: Base-Base interactions energy: -15.703 where: short stacking energy: -15.703 Base-Backbone interact. energy: -0.000 local terms energy: -23.699599 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -2.092 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -32.680890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.680890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.680890 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.098 local terms energy: -20.130573 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -2.968 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -31.178768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.178768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.178768 (E_RNA) where: Base-Base interactions energy: -12.268 where: short stacking energy: -12.268 Base-Backbone interact. energy: -0.021 local terms energy: -18.889488 where: bonds (distance) C4'-P energy: -1.958 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -30.931124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.931124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.931124 (E_RNA) where: Base-Base interactions energy: -10.190 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.012 local terms energy: -20.729294 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -2.757 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: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -31.954841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.954841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.954841 (E_RNA) where: Base-Base interactions energy: -9.354 where: short stacking energy: -9.354 Base-Backbone interact. energy: -0.001 local terms energy: -22.599845 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -30.190576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.190576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.190576 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.095 local terms energy: -22.287326 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -32.528674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.528674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.528674 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.000 local terms energy: -20.908198 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -40.261053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.261053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.261053 (E_RNA) where: Base-Base interactions energy: -14.981 where: short stacking energy: -14.981 Base-Backbone interact. energy: -0.001 local terms energy: -25.278867 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -4.348 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: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -36.461094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.461094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.461094 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.026 local terms energy: -25.735458 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -36.005948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.005948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.005948 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.039 local terms energy: -25.123507 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -5.579 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: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -34.554566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.554566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.554566 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.080 local terms energy: -23.654868 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.567 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: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -35.268202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.268202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.268202 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.702 local terms energy: -21.842668 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -3.793 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: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -34.606732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.606732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.606732 (E_RNA) where: Base-Base interactions energy: -12.052 where: short stacking energy: -12.052 Base-Backbone interact. energy: -0.000 local terms energy: -22.554547 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.857 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: 7, replica: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -35.963116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.963116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.963116 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.086 local terms energy: -22.982224 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.742 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: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -30.097672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.097672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.097672 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -22.240156 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -2.741 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -31.636056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.636056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.636056 (E_RNA) where: Base-Base interactions energy: -8.990 where: short stacking energy: -8.990 Base-Backbone interact. energy: -0.003 local terms energy: -22.642633 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.894 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: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -26.091207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.091207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.091207 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -10.904 Base-Backbone interact. energy: 0.329 local terms energy: -15.516186 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -0.113 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: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -40.544052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.544052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.544052 (E_RNA) where: Base-Base interactions energy: -13.182 where: short stacking energy: -13.182 Base-Backbone interact. energy: -0.000 local terms energy: -27.361845 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -6.384 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: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -38.622553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.622553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.622553 (E_RNA) where: Base-Base interactions energy: -10.454 where: short stacking energy: -10.798 Base-Backbone interact. energy: -1.646 local terms energy: -26.522657 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -40.844506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.844506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.844506 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -16.528 Base-Backbone interact. energy: -0.000 local terms energy: -24.316714 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -4.028 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: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -36.211563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.211563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.211563 (E_RNA) where: Base-Base interactions energy: -13.919 where: short stacking energy: -13.919 Base-Backbone interact. energy: -0.016 local terms energy: -22.276385 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -4.371 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.544 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: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -33.223143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.223143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.223143 (E_RNA) where: Base-Base interactions energy: -10.658 where: short stacking energy: -10.658 Base-Backbone interact. energy: -0.094 local terms energy: -22.471605 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -34.480628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.480628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.480628 (E_RNA) where: Base-Base interactions energy: -10.943 where: short stacking energy: -10.943 Base-Backbone interact. energy: -0.010 local terms energy: -23.527614 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -29.792848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.792848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.792848 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.753 Base-Backbone interact. energy: -0.077 local terms energy: -20.963226 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -31.125598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125598 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -23.103100 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -27.457811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.457811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.457811 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -8.217 Base-Backbone interact. energy: -0.103 local terms energy: -19.137589 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -28.249194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.249194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.249194 (E_RNA) where: Base-Base interactions energy: -3.630 where: short stacking energy: -3.205 Base-Backbone interact. energy: -0.316 local terms energy: -24.303976 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -40.487590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.487590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.487590 (E_RNA) where: Base-Base interactions energy: -18.226 where: short stacking energy: -18.226 Base-Backbone interact. energy: -0.003 local terms energy: -22.258514 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.549 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -39.380588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.380588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.380588 (E_RNA) where: Base-Base interactions energy: -13.692 where: short stacking energy: -13.692 Base-Backbone interact. energy: -0.048 local terms energy: -25.641072 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -35.169218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.169218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.169218 (E_RNA) where: Base-Base interactions energy: -9.509 where: short stacking energy: -9.509 Base-Backbone interact. energy: -0.011 local terms energy: -25.649335 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -34.498522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.498522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.498522 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.002 local terms energy: -22.792998 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -33.787918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.787918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.787918 (E_RNA) where: Base-Base interactions energy: -12.892 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.000 local terms energy: -20.896027 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.269 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: 342 Temperature: 1.150000 Total energy: -32.887883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.887883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.887883 (E_RNA) where: Base-Base interactions energy: -8.889 where: short stacking energy: -8.889 Base-Backbone interact. energy: -0.004 local terms energy: -23.994647 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.786 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: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -32.716491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.716491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.716491 (E_RNA) where: Base-Base interactions energy: -8.553 where: short stacking energy: -8.553 Base-Backbone interact. energy: -0.000 local terms energy: -24.163841 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -4.552 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: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -29.124309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.124309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.124309 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.018 local terms energy: -21.524418 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.837 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: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -31.465573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.465573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.465573 (E_RNA) where: Base-Base interactions energy: -9.980 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.000 local terms energy: -21.485988 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -29.724222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.724222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.724222 (E_RNA) where: Base-Base interactions energy: -11.003 where: short stacking energy: -11.003 Base-Backbone interact. energy: -0.000 local terms energy: -18.720892 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -1.460 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -37.107992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.107992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.107992 (E_RNA) where: Base-Base interactions energy: -13.625 where: short stacking energy: -13.625 Base-Backbone interact. energy: 0.219 local terms energy: -23.702227 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -37.033932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.033932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.033932 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.000 local terms energy: -23.575453 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.150 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: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -37.040318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.040318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.040318 (E_RNA) where: Base-Base interactions energy: -15.193 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.007 local terms energy: -21.840884 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.044 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: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -33.617950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617950 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.005 local terms energy: -22.904138 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -34.854336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.854336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.854336 (E_RNA) where: Base-Base interactions energy: -14.940 where: short stacking energy: -14.940 Base-Backbone interact. energy: -0.000 local terms energy: -19.913855 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -3.745 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -31.887170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.887170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.887170 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.050 local terms energy: -22.665297 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -31.547638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.547638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.547638 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.094 local terms energy: -22.471532 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.524 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: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -31.182557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.182557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.182557 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.110 local terms energy: -21.266970 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: 0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -28.927160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.927160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.927160 (E_RNA) where: Base-Base interactions energy: -7.091 where: short stacking energy: -7.091 Base-Backbone interact. energy: -0.063 local terms energy: -21.772588 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.557 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: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -27.672175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.672175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.672175 (E_RNA) where: Base-Base interactions energy: -4.735 where: short stacking energy: -4.735 Base-Backbone interact. energy: -0.001 local terms energy: -22.935996 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -4.035 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: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -44.355305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.355305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.355305 (E_RNA) where: Base-Base interactions energy: -21.318 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.016 local terms energy: -23.021376 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.868 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: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -37.237664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.237664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.237664 (E_RNA) where: Base-Base interactions energy: -16.044 where: short stacking energy: -16.044 Base-Backbone interact. energy: -0.001 local terms energy: -21.192446 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.555 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -35.737258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.737258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.737258 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.001 local terms energy: -22.778525 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -35.794984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.794984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.794984 (E_RNA) where: Base-Base interactions energy: -12.627 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.064 local terms energy: -23.103729 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -30.101376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.101376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.101376 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: -6.673 Base-Backbone interact. energy: -0.005 local terms energy: -23.423447 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -32.382340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.382340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.382340 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.000 local terms energy: -19.797646 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.285 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: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -29.380024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.380024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.380024 (E_RNA) where: Base-Base interactions energy: -9.835 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.026 local terms energy: -19.519383 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -2.901 flat angles P-C4'-P energy: -5.400 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: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -28.879876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.879876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.879876 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.001 local terms energy: -17.194831 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -2.039 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -2.355 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: 9, replica: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -29.589245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.589245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.589245 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -10.137 Base-Backbone interact. energy: -0.124 local terms energy: -18.049353 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: 1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -25.971192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.971192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.971192 (E_RNA) where: Base-Base interactions energy: -7.870 where: short stacking energy: -7.870 Base-Backbone interact. energy: -0.000 local terms energy: -18.101176 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -2.121 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: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -40.237346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.237346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.237346 (E_RNA) where: Base-Base interactions energy: -14.251 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.000 local terms energy: -25.986201 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -36.408886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.408886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.408886 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.032 local terms energy: -23.676312 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -37.825992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.825992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.825992 (E_RNA) where: Base-Base interactions energy: -14.127 where: short stacking energy: -14.127 Base-Backbone interact. energy: -0.046 local terms energy: -23.653017 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -34.557426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.557426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.557426 (E_RNA) where: Base-Base interactions energy: -10.244 where: short stacking energy: -10.244 Base-Backbone interact. energy: -0.000 local terms energy: -24.313217 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -5.429 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: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -34.404109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.404109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.404109 (E_RNA) where: Base-Base interactions energy: -13.128 where: short stacking energy: -13.128 Base-Backbone interact. energy: -0.000 local terms energy: -21.275605 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -34.776999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776999 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.062 local terms energy: -21.212887 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.680 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: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -32.102792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.102792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.102792 (E_RNA) where: Base-Base interactions energy: -10.606 where: short stacking energy: -10.606 Base-Backbone interact. energy: -0.027 local terms energy: -21.470598 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.768 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: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -33.380043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.380043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.380043 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.066 local terms energy: -19.319217 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.545 flat angles P-C4'-P energy: -0.955 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -28.269510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.269510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.269510 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.000 local terms energy: -20.182725 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -1.673 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -36.114032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.114032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.114032 (E_RNA) where: Base-Base interactions energy: -11.887 where: short stacking energy: -11.887 Base-Backbone interact. energy: -0.269 local terms energy: -23.958523 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -41.519582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.519582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.519582 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.000 local terms energy: -28.782601 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -40.681434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.681434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.681434 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.000 local terms energy: -26.823333 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -36.990872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990872 (E_RNA) where: Base-Base interactions energy: -10.523 where: short stacking energy: -10.523 Base-Backbone interact. energy: -0.001 local terms energy: -26.466670 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.512 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: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -34.451609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451609 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: -0.000 local terms energy: -21.756802 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.882 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: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -37.820628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.820628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.820628 (E_RNA) where: Base-Base interactions energy: -13.956 where: short stacking energy: -13.074 Base-Backbone interact. energy: -0.000 local terms energy: -23.864348 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -32.868205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.868205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.868205 (E_RNA) where: Base-Base interactions energy: -9.228 where: short stacking energy: -9.228 Base-Backbone interact. energy: -0.051 local terms energy: -23.589016 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -3.889 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: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -38.274879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.274879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.274879 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.000 local terms energy: -26.946324 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -31.926082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.926082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.926082 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.000 local terms energy: -21.011756 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -3.205 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: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -32.073326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.073326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.073326 (E_RNA) where: Base-Base interactions energy: -6.360 where: short stacking energy: -6.360 Base-Backbone interact. energy: -0.015 local terms energy: -25.698151 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -31.816567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.816567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.816567 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.000 local terms energy: -22.025556 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.688 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: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -42.548883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.548883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.548883 (E_RNA) where: Base-Base interactions energy: -14.504 where: short stacking energy: -14.504 Base-Backbone interact. energy: -0.000 local terms energy: -28.044958 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -42.738533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.738533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.738533 (E_RNA) where: Base-Base interactions energy: -17.076 where: short stacking energy: -17.076 Base-Backbone interact. energy: 0.058 local terms energy: -25.719664 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -43.713179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.713179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.713179 (E_RNA) where: Base-Base interactions energy: -17.116 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.000 local terms energy: -26.597314 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -38.385854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385854 (E_RNA) where: Base-Base interactions energy: -16.305 where: short stacking energy: -16.305 Base-Backbone interact. energy: -0.004 local terms energy: -22.076320 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -4.178 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: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -34.828361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.828361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.828361 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: 0.364 local terms energy: -21.183811 where: bonds (distance) C4'-P energy: -2.963 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -31.890786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.890786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.890786 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.051 local terms energy: -22.201448 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -38.560970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.560970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.560970 (E_RNA) where: Base-Base interactions energy: -15.215 where: short stacking energy: -15.215 Base-Backbone interact. energy: -0.000 local terms energy: -23.345537 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.113 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -31.783367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.783367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.783367 (E_RNA) where: Base-Base interactions energy: -15.610 where: short stacking energy: -15.610 Base-Backbone interact. energy: -0.001 local terms energy: -16.172262 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -1.632 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -34.870278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870278 (E_RNA) where: Base-Base interactions energy: -14.192 where: short stacking energy: -14.192 Base-Backbone interact. energy: -0.000 local terms energy: -20.678246 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -1.648 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -26.850219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.850219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.850219 (E_RNA) where: Base-Base interactions energy: -9.471 where: short stacking energy: -9.471 Base-Backbone interact. energy: -0.000 local terms energy: -17.379264 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -0.252 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -45.162207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.162207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.162207 (E_RNA) where: Base-Base interactions energy: -16.027 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.001 local terms energy: -29.134646 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -5.196 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: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -40.437991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.437991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.437991 (E_RNA) where: Base-Base interactions energy: -16.455 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.000 local terms energy: -23.982882 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.050 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: 348 Temperature: 1.000000 Total energy: -39.320392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.320392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.320392 (E_RNA) where: Base-Base interactions energy: -15.021 where: short stacking energy: -15.035 Base-Backbone interact. energy: -0.030 local terms energy: -24.269427 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -2.884 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: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -34.802179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.802179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.802179 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.025 local terms energy: -21.630943 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.006 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: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -29.689919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.689919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.689919 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.020 local terms energy: -18.998032 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -36.439618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.439618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.439618 (E_RNA) where: Base-Base interactions energy: -16.355 where: short stacking energy: -16.355 Base-Backbone interact. energy: -0.007 local terms energy: -20.078542 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -33.656327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.656327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.656327 (E_RNA) where: Base-Base interactions energy: -10.490 where: short stacking energy: -10.490 Base-Backbone interact. energy: -0.004 local terms energy: -23.162283 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -33.611796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611796 (E_RNA) where: Base-Base interactions energy: -10.023 where: short stacking energy: -10.023 Base-Backbone interact. energy: -0.000 local terms energy: -23.588704 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -3.111 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: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -30.523569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.523569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.523569 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.344 Base-Backbone interact. energy: -0.000 local terms energy: -21.178742 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: 0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -31.312974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.312974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.312974 (E_RNA) where: Base-Base interactions energy: -13.073 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.147 local terms energy: -18.092891 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -2.554 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -39.716053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.716053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.716053 (E_RNA) where: Base-Base interactions energy: -15.937 where: short stacking energy: -15.937 Base-Backbone interact. energy: -0.024 local terms energy: -23.754645 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.288 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -37.857780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.857780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.857780 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.001 local terms energy: -24.493589 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -40.931911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.931911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.931911 (E_RNA) where: Base-Base interactions energy: -17.025 where: short stacking energy: -17.025 Base-Backbone interact. energy: -0.948 local terms energy: -22.959119 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -4.353 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: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -30.742292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.742292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.742292 (E_RNA) where: Base-Base interactions energy: -7.214 where: short stacking energy: -7.214 Base-Backbone interact. energy: -0.006 local terms energy: -23.522039 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.472 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: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -33.260521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.260521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.260521 (E_RNA) where: Base-Base interactions energy: -14.288 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.000 local terms energy: -18.972487 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -4.324 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: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -38.152009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.152009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.152009 (E_RNA) where: Base-Base interactions energy: -12.719 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.000 local terms energy: -25.432863 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -28.651848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.651848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.651848 (E_RNA) where: Base-Base interactions energy: -9.003 where: short stacking energy: -9.003 Base-Backbone interact. energy: -0.000 local terms energy: -19.648231 where: bonds (distance) C4'-P energy: -2.392 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -29.358222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.358222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.358222 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.123 local terms energy: -19.695351 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -26.568517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.568517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.568517 (E_RNA) where: Base-Base interactions energy: -6.690 where: short stacking energy: -6.690 Base-Backbone interact. energy: -0.004 local terms energy: -19.874151 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: 0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -27.688543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.688543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.688543 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.140 local terms energy: -18.978576 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -1.992 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -36.310702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.310702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.310702 (E_RNA) where: Base-Base interactions energy: -14.798 where: short stacking energy: -14.798 Base-Backbone interact. energy: -0.000 local terms energy: -21.512797 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -34.394031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.394031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.394031 (E_RNA) where: Base-Base interactions energy: -12.959 where: short stacking energy: -12.959 Base-Backbone interact. energy: -0.009 local terms energy: -21.425718 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -42.257676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.257676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.257676 (E_RNA) where: Base-Base interactions energy: -17.009 where: short stacking energy: -17.009 Base-Backbone interact. energy: -0.000 local terms energy: -25.248315 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -5.368 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -35.619440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.619440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.619440 (E_RNA) where: Base-Base interactions energy: -13.382 where: short stacking energy: -13.382 Base-Backbone interact. energy: -0.000 local terms energy: -22.237009 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -39.962475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.962475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.962475 (E_RNA) where: Base-Base interactions energy: -14.269 where: short stacking energy: -14.269 Base-Backbone interact. energy: -0.000 local terms energy: -25.693478 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -33.036413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.036413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.036413 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.000 local terms energy: -23.372604 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -35.235809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.235809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.235809 (E_RNA) where: Base-Base interactions energy: -12.384 where: short stacking energy: -12.384 Base-Backbone interact. energy: -0.000 local terms energy: -22.852271 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.000 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: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -34.754942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.754942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.754942 (E_RNA) where: Base-Base interactions energy: -16.277 where: short stacking energy: -16.277 Base-Backbone interact. energy: -0.000 local terms energy: -18.477437 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -2.295 flat angles P-C4'-P energy: -3.024 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: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -28.536003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536003 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.115 local terms energy: -18.232268 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -29.930682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.930682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.930682 (E_RNA) where: Base-Base interactions energy: -9.688 where: short stacking energy: -9.688 Base-Backbone interact. energy: -0.102 local terms energy: -20.141606 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -3.303 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: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -42.268328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.268328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.268328 (E_RNA) where: Base-Base interactions energy: -17.148 where: short stacking energy: -17.148 Base-Backbone interact. energy: -0.000 local terms energy: -25.120612 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -37.734250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.734250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.734250 (E_RNA) where: Base-Base interactions energy: -16.660 where: short stacking energy: -16.660 Base-Backbone interact. energy: -0.000 local terms energy: -21.073952 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -39.872679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.872679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.872679 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.025 local terms energy: -24.904681 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -36.341767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.341767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.341767 (E_RNA) where: Base-Base interactions energy: -14.687 where: short stacking energy: -14.687 Base-Backbone interact. energy: -0.001 local terms energy: -21.654003 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -34.299843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.299843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.299843 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.079 local terms energy: -21.912214 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -31.980089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.980089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.980089 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -11.336 Base-Backbone interact. energy: -0.003 local terms energy: -20.640942 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -31.359656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.359656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.359656 (E_RNA) where: Base-Base interactions energy: -12.069 where: short stacking energy: -12.069 Base-Backbone interact. energy: -0.000 local terms energy: -19.290871 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.443 flat angles P-C4'-P energy: -2.338 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: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -37.234798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.234798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.234798 (E_RNA) where: Base-Base interactions energy: -14.744 where: short stacking energy: -14.744 Base-Backbone interact. energy: -0.000 local terms energy: -22.490551 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -1.515 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -29.813714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.813714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.813714 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.001 local terms energy: -20.353505 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -28.188934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.188934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.188934 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -8.431 Base-Backbone interact. energy: -0.000 local terms energy: -19.757913 where: bonds (distance) C4'-P energy: -3.312 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.159 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: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -43.113970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.113970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.113970 (E_RNA) where: Base-Base interactions energy: -16.068 where: short stacking energy: -16.068 Base-Backbone interact. energy: -0.000 local terms energy: -27.045984 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -40.862250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862250 (E_RNA) where: Base-Base interactions energy: -16.139 where: short stacking energy: -16.139 Base-Backbone interact. energy: -0.000 local terms energy: -24.723498 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.349 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -34.234362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.234362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.234362 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.004 local terms energy: -21.813893 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -2.927 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -35.576063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.576063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.576063 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.497 local terms energy: -24.275190 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -34.527197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.527197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.527197 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.049 local terms energy: -21.147087 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -2.852 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: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -34.059604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.059604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.059604 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.000 local terms energy: -20.653769 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -3.294 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: 7, replica: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -33.237885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.237885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.237885 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.001 local terms energy: -20.322727 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -29.063752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.063752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.063752 (E_RNA) where: Base-Base interactions energy: -6.598 where: short stacking energy: -6.598 Base-Backbone interact. energy: -0.062 local terms energy: -22.404275 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -30.498989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.498989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.498989 (E_RNA) where: Base-Base interactions energy: -8.643 where: short stacking energy: -8.643 Base-Backbone interact. energy: -0.021 local terms energy: -21.834386 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -26.723533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.723533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.723533 (E_RNA) where: Base-Base interactions energy: -6.061 where: short stacking energy: -6.061 Base-Backbone interact. energy: -0.377 local terms energy: -20.285663 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -40.603302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.603302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.603302 (E_RNA) where: Base-Base interactions energy: -15.600 where: short stacking energy: -15.600 Base-Backbone interact. energy: -0.001 local terms energy: -25.002091 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -42.399544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.399544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.399544 (E_RNA) where: Base-Base interactions energy: -17.893 where: short stacking energy: -17.893 Base-Backbone interact. energy: -0.007 local terms energy: -24.499399 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -4.870 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: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -34.952000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.952000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.952000 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.002 local terms energy: -22.281523 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.877 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: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -33.474592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.474592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.474592 (E_RNA) where: Base-Base interactions energy: -9.321 where: short stacking energy: -9.321 Base-Backbone interact. energy: -0.040 local terms energy: -24.113801 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -37.697107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.697107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.697107 (E_RNA) where: Base-Base interactions energy: -12.388 where: short stacking energy: -12.388 Base-Backbone interact. energy: -0.000 local terms energy: -25.309311 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -5.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -32.839242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.839242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.839242 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.044 local terms energy: -22.844098 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -5.429 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: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -27.168555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.168555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.168555 (E_RNA) where: Base-Base interactions energy: -9.497 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.011 local terms energy: -17.660246 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -1.585 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -34.060756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.060756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.060756 (E_RNA) where: Base-Base interactions energy: -15.668 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.000 local terms energy: -18.392540 where: bonds (distance) C4'-P energy: -3.394 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -2.053 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -27.035079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.035079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.035079 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.000 local terms energy: -19.673044 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -33.333064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.333064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.333064 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.000 local terms energy: -21.710636 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -39.795637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.795637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.795637 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.001 local terms energy: -28.387985 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -38.526533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.526533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.526533 (E_RNA) where: Base-Base interactions energy: -14.065 where: short stacking energy: -14.065 Base-Backbone interact. energy: -0.176 local terms energy: -24.285192 where: bonds (distance) C4'-P energy: -3.216 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -40.941297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.941297 (E_RNA) where: Base-Base interactions energy: -17.772 where: short stacking energy: -17.772 Base-Backbone interact. energy: -0.000 local terms energy: -23.169532 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -0.787 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -33.828416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828416 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.001 local terms energy: -22.467870 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -3.815 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: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -33.470724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470724 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.012 local terms energy: -23.437890 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.617 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: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -36.766056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.766056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.766056 (E_RNA) where: Base-Base interactions energy: -13.698 where: short stacking energy: -13.698 Base-Backbone interact. energy: -0.000 local terms energy: -23.067799 where: bonds (distance) C4'-P energy: -4.082 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.824 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -33.928327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.928327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.928327 (E_RNA) where: Base-Base interactions energy: -10.233 where: short stacking energy: -10.233 Base-Backbone interact. energy: -0.095 local terms energy: -23.600392 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.212 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: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -31.719501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.719501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.719501 (E_RNA) where: Base-Base interactions energy: -11.428 where: short stacking energy: -11.428 Base-Backbone interact. energy: -0.015 local terms energy: -20.276385 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -29.705529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.705529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.705529 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.624 Base-Backbone interact. energy: 0.177 local terms energy: -16.259027 where: bonds (distance) C4'-P energy: -0.996 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -31.957366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.957366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.957366 (E_RNA) where: Base-Base interactions energy: -8.690 where: short stacking energy: -8.690 Base-Backbone interact. energy: -0.058 local terms energy: -23.208485 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -42.036385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.036385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.036385 (E_RNA) where: Base-Base interactions energy: -17.085 where: short stacking energy: -17.085 Base-Backbone interact. energy: -0.044 local terms energy: -24.907562 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -41.538734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.538734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.538734 (E_RNA) where: Base-Base interactions energy: -17.727 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.000 local terms energy: -23.811306 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -39.675678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.675678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.675678 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.000 local terms energy: -26.184025 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -34.600043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.600043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.600043 (E_RNA) where: Base-Base interactions energy: -10.831 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.021 local terms energy: -23.747920 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -5.648 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: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -35.545229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.545229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.545229 (E_RNA) where: Base-Base interactions energy: -13.664 where: short stacking energy: -13.664 Base-Backbone interact. energy: -0.000 local terms energy: -21.881415 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.676 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: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -32.787218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.787218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.787218 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.105 local terms energy: -21.436106 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.352 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: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -32.859526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.859526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.859526 (E_RNA) where: Base-Base interactions energy: -14.002 where: short stacking energy: -14.002 Base-Backbone interact. energy: -0.089 local terms energy: -18.769270 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -31.411255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.411255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.411255 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.414 local terms energy: -20.791325 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -4.635 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: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -34.420025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.420025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.420025 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.006 local terms energy: -22.730986 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -28.488705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.488705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.488705 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.001 local terms energy: -21.227801 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -3.277 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -38.899186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.899186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.899186 (E_RNA) where: Base-Base interactions energy: -12.062 where: short stacking energy: -12.062 Base-Backbone interact. energy: -0.001 local terms energy: -26.836836 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -4.320 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: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -38.523961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.523961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.523961 (E_RNA) where: Base-Base interactions energy: -13.173 where: short stacking energy: -13.173 Base-Backbone interact. energy: -0.000 local terms energy: -25.350496 where: bonds (distance) C4'-P energy: -2.545 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -4.786 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: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -37.241166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.241166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.241166 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.000 local terms energy: -24.694920 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.534 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: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -39.468580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.468580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.468580 (E_RNA) where: Base-Base interactions energy: -19.233 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.040 local terms energy: -20.194954 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.093 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: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -31.337528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.337528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.337528 (E_RNA) where: Base-Base interactions energy: -12.693 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.002 local terms energy: -18.642218 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -34.950733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.950733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.950733 (E_RNA) where: Base-Base interactions energy: -14.330 where: short stacking energy: -14.330 Base-Backbone interact. energy: -0.000 local terms energy: -20.620448 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -4.809 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: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -33.312983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.312983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.312983 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.002 local terms energy: -20.064200 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.335 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: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -29.684453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.684453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.684453 (E_RNA) where: Base-Base interactions energy: -8.452 where: short stacking energy: -8.452 Base-Backbone interact. energy: -0.063 local terms energy: -21.169648 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -35.867219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.867219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.867219 (E_RNA) where: Base-Base interactions energy: -16.216 where: short stacking energy: -16.216 Base-Backbone interact. energy: -0.000 local terms energy: -19.651401 where: bonds (distance) C4'-P energy: -2.865 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -3.713 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: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -31.927084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927084 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.004 local terms energy: -22.096123 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -42.345715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.345715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.345715 (E_RNA) where: Base-Base interactions energy: -15.654 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.000 local terms energy: -26.691480 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -36.761331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.761331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.761331 (E_RNA) where: Base-Base interactions energy: -14.645 where: short stacking energy: -14.645 Base-Backbone interact. energy: -0.075 local terms energy: -22.041331 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.795 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: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -34.073790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.073790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.073790 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.009 local terms energy: -21.524289 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -4.092 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: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -38.431082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.431082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.431082 (E_RNA) where: Base-Base interactions energy: -15.890 where: short stacking energy: -15.890 Base-Backbone interact. energy: -0.000 local terms energy: -22.540626 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -1.814 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -31.400116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.400116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.400116 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.006 local terms energy: -18.381652 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.904 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: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -34.782181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.782181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.782181 (E_RNA) where: Base-Base interactions energy: -12.625 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.003 local terms energy: -22.153883 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -2.797 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -36.331702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.331702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.331702 (E_RNA) where: Base-Base interactions energy: -16.553 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.001 local terms energy: -19.777632 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -1.080 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -29.830941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830941 (E_RNA) where: Base-Base interactions energy: -8.445 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.002 local terms energy: -21.384067 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.079 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: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -28.381734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381734 (E_RNA) where: Base-Base interactions energy: -9.786 where: short stacking energy: -9.786 Base-Backbone interact. energy: -0.095 local terms energy: -18.501234 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -2.585 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -31.885495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.885495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.885495 (E_RNA) where: Base-Base interactions energy: -9.212 where: short stacking energy: -9.212 Base-Backbone interact. energy: -0.000 local terms energy: -22.673026 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -42.981554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.981554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.981554 (E_RNA) where: Base-Base interactions energy: -17.132 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.000 local terms energy: -25.849000 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -38.196186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.196186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.196186 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.004 local terms energy: -24.904919 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -41.386175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.386175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.386175 (E_RNA) where: Base-Base interactions energy: -16.641 where: short stacking energy: -16.641 Base-Backbone interact. energy: 1.173 local terms energy: -25.917795 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.099 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: 358 Temperature: 1.050000 Total energy: -35.457128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.457128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.457128 (E_RNA) where: Base-Base interactions energy: -13.306 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.003 local terms energy: -22.147948 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -0.144 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -33.111646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111646 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.071 local terms energy: -23.148262 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -2.009 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: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -34.924355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.924355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.924355 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -8.244 Base-Backbone interact. energy: -0.000 local terms energy: -25.521708 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -31.044741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.044741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.044741 (E_RNA) where: Base-Base interactions energy: -12.081 where: short stacking energy: -12.081 Base-Backbone interact. energy: -0.034 local terms energy: -18.930522 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -3.334 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -30.316165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.316165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.316165 (E_RNA) where: Base-Base interactions energy: -12.257 where: short stacking energy: -12.257 Base-Backbone interact. energy: -0.000 local terms energy: -18.059270 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -31.879391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.879391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.879391 (E_RNA) where: Base-Base interactions energy: -10.864 where: short stacking energy: -10.864 Base-Backbone interact. energy: -0.012 local terms energy: -21.004241 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -31.643539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.643539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.643539 (E_RNA) where: Base-Base interactions energy: -12.183 where: short stacking energy: -12.183 Base-Backbone interact. energy: -0.069 local terms energy: -19.391862 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -2.512 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: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -42.169560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.169560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.169560 (E_RNA) where: Base-Base interactions energy: -15.941 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.002 local terms energy: -26.226195 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -38.044872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.044872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.044872 (E_RNA) where: Base-Base interactions energy: -14.403 where: short stacking energy: -14.403 Base-Backbone interact. energy: 0.475 local terms energy: -24.117078 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -5.325 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: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -38.818825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.818825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.818825 (E_RNA) where: Base-Base interactions energy: -16.760 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.000 local terms energy: -22.058870 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -33.988586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.988586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.988586 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.003 local terms energy: -23.114394 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -3.629 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: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -33.861917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.861917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.861917 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.000 local terms energy: -24.787565 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -38.549419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.549419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.549419 (E_RNA) where: Base-Base interactions energy: -17.975 where: short stacking energy: -17.975 Base-Backbone interact. energy: -0.002 local terms energy: -20.572267 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.818 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: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -28.178707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.178707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.178707 (E_RNA) where: Base-Base interactions energy: -9.543 where: short stacking energy: -9.543 Base-Backbone interact. energy: -0.001 local terms energy: -18.634830 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -2.694 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -34.229477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.229477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.229477 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -8.843 Base-Backbone interact. energy: -0.051 local terms energy: -25.335005 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -34.442198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.442198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.442198 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.000 local terms energy: -22.228636 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -2.186 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: 359 Temperature: 1.350000 Total energy: -29.292599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.292599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.292599 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.094 local terms energy: -20.067914 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.082 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -38.019308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.019308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.019308 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.005 local terms energy: -26.315122 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.270 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -40.351679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.351679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.351679 (E_RNA) where: Base-Base interactions energy: -15.639 where: short stacking energy: -15.639 Base-Backbone interact. energy: -0.000 local terms energy: -24.712592 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -37.805103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.805103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.805103 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.101 local terms energy: -24.193900 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -37.670578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.670578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.670578 (E_RNA) where: Base-Base interactions energy: -14.187 where: short stacking energy: -14.187 Base-Backbone interact. energy: -0.000 local terms energy: -23.483267 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -31.989866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.989866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.989866 (E_RNA) where: Base-Base interactions energy: -11.081 where: short stacking energy: -11.081 Base-Backbone interact. energy: -0.056 local terms energy: -20.852718 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -3.945 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: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -33.061520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.061520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.061520 (E_RNA) where: Base-Base interactions energy: -13.604 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.005 local terms energy: -19.452292 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: 0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -30.506953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.506953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.506953 (E_RNA) where: Base-Base interactions energy: -8.756 where: short stacking energy: -8.756 Base-Backbone interact. energy: -0.001 local terms energy: -21.750656 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -2.040 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -33.097509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.097509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.097509 (E_RNA) where: Base-Base interactions energy: -8.892 where: short stacking energy: -8.892 Base-Backbone interact. energy: -0.066 local terms energy: -24.140175 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -31.670906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.670906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.670906 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.041 local terms energy: -20.702823 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -0.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -30.547772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.547772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.547772 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.000 local terms energy: -21.850696 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -41.037241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.037241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.037241 (E_RNA) where: Base-Base interactions energy: -15.947 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.000 local terms energy: -25.089904 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -0.494 tors. eta vs tors. theta energy: -6.652 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: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -40.974479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.974479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.974479 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.072 local terms energy: -27.635599 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -5.530 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: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -33.838415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.838415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.838415 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.000 local terms energy: -24.608139 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -4.208 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: 361 Temperature: 1.050000 Total energy: -38.844545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.844545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.844545 (E_RNA) where: Base-Base interactions energy: -14.795 where: short stacking energy: -14.795 Base-Backbone interact. energy: -0.000 local terms energy: -24.049038 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -32.533657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.533657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.533657 (E_RNA) where: Base-Base interactions energy: -10.183 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.001 local terms energy: -22.349454 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.180 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: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -30.874655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874655 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.012 local terms energy: -21.264986 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -31.087437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.087437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.087437 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.001 local terms energy: -18.850557 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -32.586851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586851 (E_RNA) where: Base-Base interactions energy: -13.613 where: short stacking energy: -13.613 Base-Backbone interact. energy: -0.000 local terms energy: -18.973876 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -28.322630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.322630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.322630 (E_RNA) where: Base-Base interactions energy: -9.665 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.052 local terms energy: -18.605441 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -1.751 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: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -33.850349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850349 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.068 local terms energy: -21.298831 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -1.546 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: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -42.088955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.088955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.088955 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -14.172 Base-Backbone interact. energy: -0.000 local terms energy: -27.916946 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -38.248284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.248284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.248284 (E_RNA) where: Base-Base interactions energy: -13.141 where: short stacking energy: -13.141 Base-Backbone interact. energy: -0.001 local terms energy: -25.106609 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -4.459 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: 3, replica: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -40.236592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.236592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.236592 (E_RNA) where: Base-Base interactions energy: -13.698 where: short stacking energy: -13.698 Base-Backbone interact. energy: -0.000 local terms energy: -26.538522 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -37.095299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.095299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.095299 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.067 local terms energy: -22.969858 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -4.892 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: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -35.920349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.920349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.920349 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.028 local terms energy: -22.523901 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.419 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: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -33.429020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429020 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: 0.545 local terms energy: -21.601012 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -36.347982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.347982 (E_RNA) where: Base-Base interactions energy: -13.381 where: short stacking energy: -13.381 Base-Backbone interact. energy: -0.003 local terms energy: -22.963887 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.347 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: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -30.027269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.027269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.027269 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.004 local terms energy: -21.135310 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.786 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: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -28.816971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.816971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.816971 (E_RNA) where: Base-Base interactions energy: -8.218 where: short stacking energy: -8.218 Base-Backbone interact. energy: -0.000 local terms energy: -20.598553 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -2.781 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: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -34.006289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.006289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.006289 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -13.014 Base-Backbone interact. energy: -0.000 local terms energy: -20.992627 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -4.625 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: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -40.273910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.273910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.273910 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -14.040 Base-Backbone interact. energy: -0.002 local terms energy: -26.231799 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -41.734721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734721 (E_RNA) where: Base-Base interactions energy: -15.211 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.007 local terms energy: -26.517162 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.481 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: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -40.656065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.656065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.656065 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.001 local terms energy: -27.023241 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -38.370937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.370937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.370937 (E_RNA) where: Base-Base interactions energy: -14.616 where: short stacking energy: -14.616 Base-Backbone interact. energy: -0.019 local terms energy: -23.735672 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -3.644 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: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -34.131449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.131449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.131449 (E_RNA) where: Base-Base interactions energy: -10.331 where: short stacking energy: -10.331 Base-Backbone interact. energy: -0.000 local terms energy: -23.800897 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -35.140290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.140290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.140290 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.001 local terms energy: -23.488067 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -3.856 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: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -31.063030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.063030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.063030 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.041 local terms energy: -23.895443 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -33.534862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.534862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.534862 (E_RNA) where: Base-Base interactions energy: -8.311 where: short stacking energy: -8.311 Base-Backbone interact. energy: -0.000 local terms energy: -25.224238 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -33.466365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.466365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.466365 (E_RNA) where: Base-Base interactions energy: -9.876 where: short stacking energy: -9.876 Base-Backbone interact. energy: 1.448 local terms energy: -25.038400 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -30.218126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.218126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.218126 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.035 local terms energy: -20.545689 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -1.447 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: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -42.654908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.654908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.654908 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.000 local terms energy: -25.111113 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -42.007241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.007241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.007241 (E_RNA) where: Base-Base interactions energy: -14.692 where: short stacking energy: -14.692 Base-Backbone interact. energy: -0.000 local terms energy: -27.315276 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -3.870 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: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -42.165661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.165661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.165661 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.000 local terms energy: -27.509281 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -31.970752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.970752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.970752 (E_RNA) where: Base-Base interactions energy: -14.018 where: short stacking energy: -14.018 Base-Backbone interact. energy: 0.346 local terms energy: -18.299720 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -2.824 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: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -36.933287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933287 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.001 local terms energy: -26.230692 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -36.362013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.362013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.362013 (E_RNA) where: Base-Base interactions energy: -15.248 where: short stacking energy: -15.248 Base-Backbone interact. energy: -0.000 local terms energy: -21.113895 where: bonds (distance) C4'-P energy: -2.492 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.108 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: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -29.252103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.252103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.252103 (E_RNA) where: Base-Base interactions energy: -13.377 where: short stacking energy: -13.377 Base-Backbone interact. energy: -0.046 local terms energy: -15.828406 where: bonds (distance) C4'-P energy: -2.786 bonds (distance) P-C4' energy: -4.059 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -33.519933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.519933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.519933 (E_RNA) where: Base-Base interactions energy: -12.481 where: short stacking energy: -9.432 Base-Backbone interact. energy: -0.008 local terms energy: -21.030797 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -4.444 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: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -29.385395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.385395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.385395 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.058 local terms energy: -20.863170 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -33.528822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528822 (E_RNA) where: Base-Base interactions energy: -11.882 where: short stacking energy: -11.882 Base-Backbone interact. energy: -0.016 local terms energy: -21.630825 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.895 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: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -38.396332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.396332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.396332 (E_RNA) where: Base-Base interactions energy: -13.961 where: short stacking energy: -13.961 Base-Backbone interact. energy: -0.084 local terms energy: -24.351184 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.221 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: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -35.522987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.522987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.522987 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.000 local terms energy: -22.844087 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -35.118934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.118934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.118934 (E_RNA) where: Base-Base interactions energy: -13.779 where: short stacking energy: -13.779 Base-Backbone interact. energy: -0.029 local terms energy: -21.310995 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -34.211950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.211950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.211950 (E_RNA) where: Base-Base interactions energy: -12.983 where: short stacking energy: -12.983 Base-Backbone interact. energy: -0.008 local terms energy: -21.220465 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -35.154384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.154384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.154384 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: -0.954 local terms energy: -19.784725 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -3.448 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -31.878004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.878004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.878004 (E_RNA) where: Base-Base interactions energy: -9.023 where: short stacking energy: -9.023 Base-Backbone interact. energy: -0.052 local terms energy: -22.802825 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -29.454496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.454496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.454496 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.108 local terms energy: -22.592196 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.877 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: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -31.354697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.354697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.354697 (E_RNA) where: Base-Base interactions energy: -13.157 where: short stacking energy: -13.157 Base-Backbone interact. energy: -0.729 local terms energy: -17.469011 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -29.365090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.365090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.365090 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.010 local terms energy: -21.202101 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -30.597186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.597186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.597186 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: -0.000 local terms energy: -21.182702 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -2.464 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: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -39.818609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.818609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.818609 (E_RNA) where: Base-Base interactions energy: -10.400 where: short stacking energy: -10.400 Base-Backbone interact. energy: -0.094 local terms energy: -29.324450 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -40.119549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.119549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.119549 (E_RNA) where: Base-Base interactions energy: -12.846 where: short stacking energy: -12.846 Base-Backbone interact. energy: -0.000 local terms energy: -27.273105 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -35.977852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.977852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.977852 (E_RNA) where: Base-Base interactions energy: -13.276 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.003 local terms energy: -22.698665 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -41.045631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.045631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.045631 (E_RNA) where: Base-Base interactions energy: -18.094 where: short stacking energy: -18.094 Base-Backbone interact. energy: -0.000 local terms energy: -22.952029 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -37.278980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.278980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.278980 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.049 local terms energy: -23.941226 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -31.350096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.350096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.350096 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.012 local terms energy: -22.398135 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -31.019918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.019918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.019918 (E_RNA) where: Base-Base interactions energy: -8.415 where: short stacking energy: -8.415 Base-Backbone interact. energy: -0.047 local terms energy: -22.557781 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -32.740976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.740976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.740976 (E_RNA) where: Base-Base interactions energy: -12.560 where: short stacking energy: -12.560 Base-Backbone interact. energy: -0.013 local terms energy: -20.168396 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -30.843571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.843571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.843571 (E_RNA) where: Base-Base interactions energy: -12.318 where: short stacking energy: -12.318 Base-Backbone interact. energy: -0.064 local terms energy: -18.462022 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -28.513437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.513437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.513437 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.758 Base-Backbone interact. energy: -0.094 local terms energy: -18.662239 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.506 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -3.629 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: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -38.154297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.154297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.154297 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.000 local terms energy: -25.709136 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -38.787964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.787964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.787964 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -13.161 Base-Backbone interact. energy: -0.000 local terms energy: -25.626667 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -36.416173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.416173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.416173 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.017 local terms energy: -26.329421 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -35.253252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.253252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.253252 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.106 local terms energy: -26.786751 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -37.644440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.644440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.644440 (E_RNA) where: Base-Base interactions energy: -14.864 where: short stacking energy: -14.864 Base-Backbone interact. energy: -0.007 local terms energy: -22.773928 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -30.585541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.585541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.585541 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.018 local terms energy: -22.957857 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -28.414802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.414802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.414802 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.001 local terms energy: -20.272426 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -2.154 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -34.038401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.038401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.038401 (E_RNA) where: Base-Base interactions energy: -15.501 where: short stacking energy: -15.501 Base-Backbone interact. energy: -0.003 local terms energy: -18.533758 where: bonds (distance) C4'-P energy: -1.001 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -5.331 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: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -31.923605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.923605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.923605 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: 0.085 local terms energy: -21.445454 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.981 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: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -26.459004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.459004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.459004 (E_RNA) where: Base-Base interactions energy: -5.209 where: short stacking energy: -5.209 Base-Backbone interact. energy: -0.047 local terms energy: -21.202634 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: 1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -44.440003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.440003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.440003 (E_RNA) where: Base-Base interactions energy: -16.411 where: short stacking energy: -16.411 Base-Backbone interact. energy: -0.000 local terms energy: -28.029054 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -36.920937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.920937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.920937 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.062 local terms energy: -24.312988 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -5.027 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: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -32.207329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.207329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.207329 (E_RNA) where: Base-Base interactions energy: -13.557 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.012 local terms energy: -18.637906 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -2.902 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: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -36.194175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.194175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.194175 (E_RNA) where: Base-Base interactions energy: -9.463 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.038 local terms energy: -26.692914 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -32.891002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.891002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.891002 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.000 local terms energy: -22.311104 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -2.511 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -36.573393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.573393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.573393 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.054 local terms energy: -21.577317 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -0.918 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -33.405592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.405592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.405592 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.001 local terms energy: -20.774343 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -3.312 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: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -27.745977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.745977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.745977 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -8.217 Base-Backbone interact. energy: -0.139 local terms energy: -19.389817 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.684 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -2.714 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: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -35.275812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.275812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.275812 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.010 local terms energy: -22.502604 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -3.411 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: 5 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -32.028803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.028803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.028803 (E_RNA) where: Base-Base interactions energy: -12.964 where: short stacking energy: -12.964 Base-Backbone interact. energy: -0.039 local terms energy: -19.026215 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -41.933741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.933741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.933741 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.047 local terms energy: -25.626608 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.997 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: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -38.725721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.725721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.725721 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.002 local terms energy: -24.923687 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -40.646066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.646066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.646066 (E_RNA) where: Base-Base interactions energy: -18.199 where: short stacking energy: -18.199 Base-Backbone interact. energy: -0.000 local terms energy: -22.447066 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -35.064872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064872 (E_RNA) where: Base-Base interactions energy: -14.843 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.117 local terms energy: -20.104655 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -2.220 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: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -38.274434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.274434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.274434 (E_RNA) where: Base-Base interactions energy: -13.790 where: short stacking energy: -13.790 Base-Backbone interact. energy: -0.000 local terms energy: -24.484601 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.966 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: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -37.923112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.923112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.923112 (E_RNA) where: Base-Base interactions energy: -16.557 where: short stacking energy: -16.557 Base-Backbone interact. energy: -0.000 local terms energy: -21.366521 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -1.832 flat angles P-C4'-P energy: -0.215 tors. eta vs tors. theta energy: -6.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -30.826418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.826418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.826418 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.417 local terms energy: -22.661801 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -30.869753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.869753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.869753 (E_RNA) where: Base-Base interactions energy: -9.932 where: short stacking energy: -9.932 Base-Backbone interact. energy: -0.002 local terms energy: -20.935372 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -30.937540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.937540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.937540 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.000 local terms energy: -22.845188 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.158 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: 10, replica: 5 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -30.510901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.510901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.510901 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.000 local terms energy: -22.783432 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -38.759301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.759301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.759301 (E_RNA) where: Base-Base interactions energy: -13.733 where: short stacking energy: -13.733 Base-Backbone interact. energy: -0.073 local terms energy: -24.952944 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -36.172999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.172999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.172999 (E_RNA) where: Base-Base interactions energy: -13.438 where: short stacking energy: -13.438 Base-Backbone interact. energy: -0.000 local terms energy: -22.734711 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -3.812 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: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -36.141326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141326 (E_RNA) where: Base-Base interactions energy: -14.853 where: short stacking energy: -14.853 Base-Backbone interact. energy: -0.084 local terms energy: -21.204540 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -36.261886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.261886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.261886 (E_RNA) where: Base-Base interactions energy: -15.674 where: short stacking energy: -15.674 Base-Backbone interact. energy: -0.002 local terms energy: -20.585839 where: bonds (distance) C4'-P energy: -3.435 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -32.669926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.669926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.669926 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.153 Base-Backbone interact. energy: -0.000 local terms energy: -25.516474 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -32.777718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.777718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.777718 (E_RNA) where: Base-Base interactions energy: -12.817 where: short stacking energy: -12.817 Base-Backbone interact. energy: -0.028 local terms energy: -19.932554 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -32.496574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.496574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.496574 (E_RNA) where: Base-Base interactions energy: -18.451 where: short stacking energy: -18.451 Base-Backbone interact. energy: -0.022 local terms energy: -14.022820 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -2.790 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -35.178176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.178176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.178176 (E_RNA) where: Base-Base interactions energy: -14.690 where: short stacking energy: -14.690 Base-Backbone interact. energy: -0.034 local terms energy: -20.454707 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -2.177 tors. eta vs tors. theta energy: -0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -28.085836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.085836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.085836 (E_RNA) where: Base-Base interactions energy: -15.562 where: short stacking energy: -15.562 Base-Backbone interact. energy: -0.097 local terms energy: -12.426938 where: bonds (distance) C4'-P energy: -2.569 bonds (distance) P-C4' energy: -3.221 flat angles C4'-P-C4' energy: -1.004 flat angles P-C4'-P energy: -4.698 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: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -28.276535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.276535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.276535 (E_RNA) where: Base-Base interactions energy: -8.356 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.000 local terms energy: -19.920540 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -1.230 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -38.528888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.528888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.528888 (E_RNA) where: Base-Base interactions energy: -13.347 where: short stacking energy: -13.347 Base-Backbone interact. energy: -0.007 local terms energy: -25.174521 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -40.239179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.239179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.239179 (E_RNA) where: Base-Base interactions energy: -15.010 where: short stacking energy: -15.010 Base-Backbone interact. energy: -0.000 local terms energy: -25.228733 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -39.317042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.317042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.317042 (E_RNA) where: Base-Base interactions energy: -15.725 where: short stacking energy: -15.725 Base-Backbone interact. energy: -0.097 local terms energy: -23.495881 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -5.084 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: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -34.977722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.977722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.977722 (E_RNA) where: Base-Base interactions energy: -10.587 where: short stacking energy: -10.587 Base-Backbone interact. energy: -0.017 local terms energy: -24.373572 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -5.110 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: 371 Temperature: 1.100000 Total energy: -34.187757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.187757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.187757 (E_RNA) where: Base-Base interactions energy: -15.012 where: short stacking energy: -15.012 Base-Backbone interact. energy: -0.021 local terms energy: -19.154444 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -2.905 flat angles P-C4'-P energy: -1.859 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -32.231254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231254 (E_RNA) where: Base-Base interactions energy: -9.884 where: short stacking energy: -9.884 Base-Backbone interact. energy: -0.000 local terms energy: -22.347500 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -1.968 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: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -28.951266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.951266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.951266 (E_RNA) where: Base-Base interactions energy: -6.794 where: short stacking energy: -6.794 Base-Backbone interact. energy: -0.006 local terms energy: -22.150665 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -33.910364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.910364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.910364 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.001 local terms energy: -25.528457 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -28.441613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.441613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.441613 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.001 local terms energy: -20.382285 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.541 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: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -32.814346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.814346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.814346 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.004 local terms energy: -17.922789 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -38.696202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.696202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.696202 (E_RNA) where: Base-Base interactions energy: -17.721 where: short stacking energy: -17.721 Base-Backbone interact. energy: -0.185 local terms energy: -20.790128 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -1.135 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -38.174778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.174778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.174778 (E_RNA) where: Base-Base interactions energy: -14.069 where: short stacking energy: -14.069 Base-Backbone interact. energy: -0.000 local terms energy: -24.105527 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -34.974269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.974269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.974269 (E_RNA) where: Base-Base interactions energy: -11.373 where: short stacking energy: -11.373 Base-Backbone interact. energy: -0.000 local terms energy: -23.600769 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.151 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: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -35.751778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.751778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.751778 (E_RNA) where: Base-Base interactions energy: -11.281 where: short stacking energy: -11.281 Base-Backbone interact. energy: -0.112 local terms energy: -24.358776 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -33.791347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.791347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.791347 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -10.137 Base-Backbone interact. energy: -0.001 local terms energy: -23.653997 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -37.005399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.005399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.005399 (E_RNA) where: Base-Base interactions energy: -13.353 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.075 local terms energy: -23.577295 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -29.562577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.562577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.562577 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.076 local terms energy: -20.441845 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.002 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: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -36.454053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.454053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.454053 (E_RNA) where: Base-Base interactions energy: -11.697 where: short stacking energy: -11.697 Base-Backbone interact. energy: -0.000 local terms energy: -24.757409 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -38.670269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.670269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.670269 (E_RNA) where: Base-Base interactions energy: -12.194 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.000 local terms energy: -26.476517 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -32.755313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.755313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.755313 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.000 local terms energy: -20.171362 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -1.443 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: 1 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -43.881759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.881759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.881759 (E_RNA) where: Base-Base interactions energy: -17.493 where: short stacking energy: -17.493 Base-Backbone interact. energy: -0.000 local terms energy: -26.388866 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -36.710518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.710518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.710518 (E_RNA) where: Base-Base interactions energy: -12.035 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.032 local terms energy: -24.643423 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -39.761166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.761166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.761166 (E_RNA) where: Base-Base interactions energy: -13.554 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.533 local terms energy: -25.674984 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -5.036 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: 373 Temperature: 1.050000 Total energy: -33.911915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.911915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.911915 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.001 local terms energy: -23.247543 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.016 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: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -36.224887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.224887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.224887 (E_RNA) where: Base-Base interactions energy: -17.473 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.044 local terms energy: -18.708736 where: bonds (distance) C4'-P energy: -2.989 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.039 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: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -35.978953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.978953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.978953 (E_RNA) where: Base-Base interactions energy: -16.423 where: short stacking energy: -16.423 Base-Backbone interact. energy: -0.000 local terms energy: -19.555845 where: bonds (distance) C4'-P energy: -2.641 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -34.238481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.238481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.238481 (E_RNA) where: Base-Base interactions energy: -11.849 where: short stacking energy: -11.849 Base-Backbone interact. energy: -0.030 local terms energy: -22.359655 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -31.172793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.172793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.172793 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.016 local terms energy: -22.443382 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.248 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: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -29.946505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.946505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.946505 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.015 local terms energy: -22.110708 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.142 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: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -31.561349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.561349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.561349 (E_RNA) where: Base-Base interactions energy: -8.607 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.000 local terms energy: -22.954256 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -42.621490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.621490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.621490 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.000 local terms energy: -29.094590 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -38.925266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.925266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.925266 (E_RNA) where: Base-Base interactions energy: -13.349 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.000 local terms energy: -25.576672 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -35.950445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.950445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.950445 (E_RNA) where: Base-Base interactions energy: -12.060 where: short stacking energy: -12.060 Base-Backbone interact. energy: -0.039 local terms energy: -23.851874 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -33.506916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.506916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.506916 (E_RNA) where: Base-Base interactions energy: -13.202 where: short stacking energy: -13.202 Base-Backbone interact. energy: -0.000 local terms energy: -20.305223 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -4.099 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: 374 Temperature: 1.100000 Total energy: -32.927809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927809 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.000 local terms energy: -23.261011 where: bonds (distance) C4'-P energy: -2.880 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -33.368190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.368190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.368190 (E_RNA) where: Base-Base interactions energy: -13.178 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.005 local terms energy: -20.184755 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -3.214 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: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -30.444948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.444948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.444948 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: -0.000 local terms energy: -20.647167 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: 0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -32.625866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.625866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.625866 (E_RNA) where: Base-Base interactions energy: -8.272 where: short stacking energy: -8.272 Base-Backbone interact. energy: -0.595 local terms energy: -23.758795 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.411 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: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -31.369966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369966 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -13.197 Base-Backbone interact. energy: -0.395 local terms energy: -17.990407 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: 0.648 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -27.828665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.828665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.828665 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.001 local terms energy: -18.785186 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -44.923456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.923456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.923456 (E_RNA) where: Base-Base interactions energy: -17.222 where: short stacking energy: -17.222 Base-Backbone interact. energy: -0.000 local terms energy: -27.700723 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -37.322267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.322267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.322267 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.000 local terms energy: -24.148374 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.721 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: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -38.275799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.275799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.275799 (E_RNA) where: Base-Base interactions energy: -15.935 where: short stacking energy: -15.935 Base-Backbone interact. energy: -0.028 local terms energy: -22.312638 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.327 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: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -37.087928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.087928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.087928 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.000 local terms energy: -25.129451 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -3.851 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: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -37.908941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.908941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.908941 (E_RNA) where: Base-Base interactions energy: -14.796 where: short stacking energy: -14.903 Base-Backbone interact. energy: 0.053 local terms energy: -23.166563 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -36.071119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.071119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.071119 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.098 local terms energy: -25.549987 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -5.063 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: 7, replica: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -32.628113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.628113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.628113 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.070 local terms energy: -21.878962 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -28.326787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.326787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.326787 (E_RNA) where: Base-Base interactions energy: -11.062 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.078 local terms energy: -17.186575 where: bonds (distance) C4'-P energy: -2.065 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -29.252725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.252725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.252725 (E_RNA) where: Base-Base interactions energy: -9.388 where: short stacking energy: -9.388 Base-Backbone interact. energy: -0.000 local terms energy: -19.864690 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.996 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -27.412456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.412456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.412456 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: 1.167 local terms energy: -20.642519 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.722 flat angles P-C4'-P energy: -3.517 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: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -37.890722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.890722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.890722 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.051 local terms energy: -23.574802 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -41.404529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.404529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.404529 (E_RNA) where: Base-Base interactions energy: -15.202 where: short stacking energy: -15.202 Base-Backbone interact. energy: -0.000 local terms energy: -26.202731 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -39.236787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.236787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.236787 (E_RNA) where: Base-Base interactions energy: -14.843 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.001 local terms energy: -24.393082 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -33.843911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.843911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.843911 (E_RNA) where: Base-Base interactions energy: -9.099 where: short stacking energy: -9.099 Base-Backbone interact. energy: -0.002 local terms energy: -24.742709 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.298 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: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -37.972380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.972380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.972380 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.000 local terms energy: -25.248421 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -35.924771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.924771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.924771 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -1.072 local terms energy: -22.110454 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -2.444 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -34.697867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.697867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.697867 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.013 local terms energy: -19.798112 where: bonds (distance) C4'-P energy: -2.615 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -28.780016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.780016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.780016 (E_RNA) where: Base-Base interactions energy: -6.389 where: short stacking energy: -6.589 Base-Backbone interact. energy: -0.429 local terms energy: -21.962752 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.456 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: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -30.743217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.743217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.743217 (E_RNA) where: Base-Base interactions energy: -10.077 where: short stacking energy: -10.077 Base-Backbone interact. energy: 0.470 local terms energy: -21.135742 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -29.979393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.979393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.979393 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -9.787 Base-Backbone interact. energy: -0.000 local terms energy: -19.401682 where: bonds (distance) C4'-P energy: -4.876 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -1.240 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -39.976960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.976960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.976960 (E_RNA) where: Base-Base interactions energy: -17.261 where: short stacking energy: -17.261 Base-Backbone interact. energy: -0.051 local terms energy: -22.664651 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.991 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: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -45.518965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.518965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.518965 (E_RNA) where: Base-Base interactions energy: -16.936 where: short stacking energy: -16.936 Base-Backbone interact. energy: -0.000 local terms energy: -28.583355 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -7.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -37.557062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.557062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.557062 (E_RNA) where: Base-Base interactions energy: -13.505 where: short stacking energy: -13.505 Base-Backbone interact. energy: -0.000 local terms energy: -24.051498 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -38.349976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.349976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.349976 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.000 local terms energy: -26.600876 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -36.353536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.353536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.353536 (E_RNA) where: Base-Base interactions energy: -14.004 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.004 local terms energy: -22.344957 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -30.081476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.081476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.081476 (E_RNA) where: Base-Base interactions energy: -9.283 where: short stacking energy: -9.283 Base-Backbone interact. energy: -0.066 local terms energy: -20.732900 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.524 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: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -32.827481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.827481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.827481 (E_RNA) where: Base-Base interactions energy: -10.305 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.100 local terms energy: -22.422957 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.085 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -38.742392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.742392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.742392 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.000 local terms energy: -25.795079 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -32.376908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.376908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.376908 (E_RNA) where: Base-Base interactions energy: -11.923 where: short stacking energy: -11.923 Base-Backbone interact. energy: -0.019 local terms energy: -20.434797 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -26.204451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.204451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.204451 (E_RNA) where: Base-Base interactions energy: -5.179 where: short stacking energy: -5.179 Base-Backbone interact. energy: -0.090 local terms energy: -20.935443 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.946 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: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -44.181008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.181008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.181008 (E_RNA) where: Base-Base interactions energy: -16.919 where: short stacking energy: -16.919 Base-Backbone interact. energy: -0.000 local terms energy: -27.262446 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -6.029 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: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -36.310956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.310956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.310956 (E_RNA) where: Base-Base interactions energy: -15.796 where: short stacking energy: -15.796 Base-Backbone interact. energy: -0.001 local terms energy: -20.513920 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -34.883943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.883943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.883943 (E_RNA) where: Base-Base interactions energy: -11.714 where: short stacking energy: -11.714 Base-Backbone interact. energy: -0.003 local terms energy: -23.166946 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -34.684468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.684468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.684468 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.092 local terms energy: -19.951931 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.195 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: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -32.641766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.641766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.641766 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.000 local terms energy: -24.604788 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -34.056817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056817 (E_RNA) where: Base-Base interactions energy: -9.799 where: short stacking energy: -9.799 Base-Backbone interact. energy: -0.104 local terms energy: -24.154050 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -1.707 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -33.743701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.743701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.743701 (E_RNA) where: Base-Base interactions energy: -9.982 where: short stacking energy: -9.982 Base-Backbone interact. energy: -0.002 local terms energy: -23.759427 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -1.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -33.825241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.825241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.825241 (E_RNA) where: Base-Base interactions energy: -9.157 where: short stacking energy: -9.157 Base-Backbone interact. energy: -0.144 local terms energy: -24.523411 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.425 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: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -30.117572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.117572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.117572 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.000 local terms energy: -21.577599 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -35.158185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.158185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.158185 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.000 local terms energy: -24.708058 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -37.982045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.982045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.982045 (E_RNA) where: Base-Base interactions energy: -13.226 where: short stacking energy: -13.226 Base-Backbone interact. energy: 0.872 local terms energy: -25.627954 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -33.285525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.285525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.285525 (E_RNA) where: Base-Base interactions energy: -10.154 where: short stacking energy: -10.154 Base-Backbone interact. energy: -0.806 local terms energy: -22.325452 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: 0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -43.797923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.797923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.797923 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.000 local terms energy: -28.043200 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -7.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -37.562373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.562373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.562373 (E_RNA) where: Base-Base interactions energy: -13.711 where: short stacking energy: -13.711 Base-Backbone interact. energy: -0.000 local terms energy: -23.851793 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -36.621993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.621993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.621993 (E_RNA) where: Base-Base interactions energy: -9.603 where: short stacking energy: -9.603 Base-Backbone interact. energy: -0.000 local terms energy: -27.019261 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -35.377417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.377417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.377417 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.068 local terms energy: -23.200897 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -28.074700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.074700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.074700 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.524 Base-Backbone interact. energy: -0.008 local terms energy: -19.542763 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -31.918490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.918490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.918490 (E_RNA) where: Base-Base interactions energy: -9.690 where: short stacking energy: -9.690 Base-Backbone interact. energy: -0.929 local terms energy: -21.298948 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -32.901420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.901420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.901420 (E_RNA) where: Base-Base interactions energy: -10.622 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.002 local terms energy: -22.276965 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -25.989549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.989549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.989549 (E_RNA) where: Base-Base interactions energy: -6.572 where: short stacking energy: -6.572 Base-Backbone interact. energy: -0.017 local terms energy: -19.400118 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -40.807752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.807752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.807752 (E_RNA) where: Base-Base interactions energy: -13.698 where: short stacking energy: -13.698 Base-Backbone interact. energy: 0.055 local terms energy: -27.165149 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -36.591840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.591840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.591840 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.000 local terms energy: -23.792568 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.396 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.089 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: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -35.441226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.441226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.441226 (E_RNA) where: Base-Base interactions energy: -11.636 where: short stacking energy: -11.636 Base-Backbone interact. energy: -0.274 local terms energy: -23.530694 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -36.191660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.191660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.191660 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.006 local terms energy: -26.535363 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -31.660168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.660168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.660168 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.004 local terms energy: -23.570107 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -37.329840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.329840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.329840 (E_RNA) where: Base-Base interactions energy: -13.690 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.062 local terms energy: -23.577365 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -32.941540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941540 (E_RNA) where: Base-Base interactions energy: -9.219 where: short stacking energy: -9.219 Base-Backbone interact. energy: -0.027 local terms energy: -23.695341 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -30.920185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.920185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.920185 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.000 local terms energy: -21.627836 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.927 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: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -31.264495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.264495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.264495 (E_RNA) where: Base-Base interactions energy: -11.054 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.000 local terms energy: -20.210567 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -5.600 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: 6 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -28.453269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.453269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.453269 (E_RNA) where: Base-Base interactions energy: -8.318 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.000 local terms energy: -20.135172 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -41.404535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.404535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.404535 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.021 local terms energy: -23.125638 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -35.788196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.788196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.788196 (E_RNA) where: Base-Base interactions energy: -11.140 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.082 local terms energy: -24.566304 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.924 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: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -34.825247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.825247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.825247 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.033 local terms energy: -22.148118 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.003 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: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -41.509114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.509114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.509114 (E_RNA) where: Base-Base interactions energy: -16.282 where: short stacking energy: -16.282 Base-Backbone interact. energy: -0.001 local terms energy: -25.225782 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -28.915335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.915335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.915335 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.517 Base-Backbone interact. energy: 0.594 local terms energy: -20.985250 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -36.831314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.831314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.831314 (E_RNA) where: Base-Base interactions energy: -16.196 where: short stacking energy: -16.196 Base-Backbone interact. energy: -0.007 local terms energy: -20.628445 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -3.907 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -31.422023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.422023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.422023 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.044 local terms energy: -23.568255 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.453 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: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -33.573135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.573135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.573135 (E_RNA) where: Base-Base interactions energy: -12.331 where: short stacking energy: -12.331 Base-Backbone interact. energy: -0.092 local terms energy: -21.149427 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -30.725705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725705 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.000 local terms energy: -19.296911 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -4.469 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: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -28.800028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.800028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.800028 (E_RNA) where: Base-Base interactions energy: -6.775 where: short stacking energy: -6.775 Base-Backbone interact. energy: -0.027 local terms energy: -21.998481 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -39.540114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.540114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.540114 (E_RNA) where: Base-Base interactions energy: -14.628 where: short stacking energy: -14.628 Base-Backbone interact. energy: -0.000 local terms energy: -24.912409 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -38.340838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.340838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.340838 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -17.276 Base-Backbone interact. energy: -0.009 local terms energy: -21.055401 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.142 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -40.612716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.612716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.612716 (E_RNA) where: Base-Base interactions energy: -13.775 where: short stacking energy: -13.775 Base-Backbone interact. energy: -0.062 local terms energy: -26.776066 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -34.029332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.029332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.029332 (E_RNA) where: Base-Base interactions energy: -9.262 where: short stacking energy: -9.262 Base-Backbone interact. energy: -0.025 local terms energy: -24.742801 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -36.753782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753782 (E_RNA) where: Base-Base interactions energy: -12.899 where: short stacking energy: -12.899 Base-Backbone interact. energy: -0.289 local terms energy: -23.565577 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.562 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: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -31.321978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.321978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.321978 (E_RNA) where: Base-Base interactions energy: -10.689 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.001 local terms energy: -20.632826 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.773 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: 7, replica: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -30.418413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.418413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.418413 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.193 local terms energy: -19.906346 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: 0.705 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -39.307776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.307776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.307776 (E_RNA) where: Base-Base interactions energy: -12.111 where: short stacking energy: -12.111 Base-Backbone interact. energy: -0.000 local terms energy: -27.197129 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -36.783411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783411 (E_RNA) where: Base-Base interactions energy: -13.707 where: short stacking energy: -13.707 Base-Backbone interact. energy: -0.000 local terms energy: -23.076569 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -26.618455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.618455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.618455 (E_RNA) where: Base-Base interactions energy: -5.386 where: short stacking energy: -5.386 Base-Backbone interact. energy: -0.127 local terms energy: -21.105789 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -40.306724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.306724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.306724 (E_RNA) where: Base-Base interactions energy: -16.317 where: short stacking energy: -16.317 Base-Backbone interact. energy: -0.000 local terms energy: -23.990140 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -39.094503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.094503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.094503 (E_RNA) where: Base-Base interactions energy: -18.534 where: short stacking energy: -18.534 Base-Backbone interact. energy: -0.001 local terms energy: -20.559278 where: bonds (distance) C4'-P energy: -3.954 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -2.346 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: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -38.042541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.042541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.042541 (E_RNA) where: Base-Base interactions energy: -13.620 where: short stacking energy: -13.620 Base-Backbone interact. energy: -0.001 local terms energy: -24.421323 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -36.957575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.957575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.957575 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -13.227 Base-Backbone interact. energy: -0.000 local terms energy: -23.730253 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -38.270791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.270791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.270791 (E_RNA) where: Base-Base interactions energy: -13.714 where: short stacking energy: -13.714 Base-Backbone interact. energy: -0.075 local terms energy: -24.482253 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -33.475743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.475743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.475743 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: 0.162 local terms energy: -22.170004 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -32.222088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.222088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.222088 (E_RNA) where: Base-Base interactions energy: -10.422 where: short stacking energy: -10.422 Base-Backbone interact. energy: -0.055 local terms energy: -21.744863 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -32.644972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.644972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.644972 (E_RNA) where: Base-Base interactions energy: -12.748 where: short stacking energy: -12.748 Base-Backbone interact. energy: -0.000 local terms energy: -19.896784 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -1.217 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -31.127810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.127810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.127810 (E_RNA) where: Base-Base interactions energy: -8.908 where: short stacking energy: -8.908 Base-Backbone interact. energy: -0.480 local terms energy: -21.740268 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -3.457 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: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -29.233456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.233456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.233456 (E_RNA) where: Base-Base interactions energy: -10.056 where: short stacking energy: -10.056 Base-Backbone interact. energy: -0.053 local terms energy: -19.123745 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -37.302934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.302934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.302934 (E_RNA) where: Base-Base interactions energy: -17.072 where: short stacking energy: -17.072 Base-Backbone interact. energy: -0.002 local terms energy: -20.228664 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -40.581955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.581955 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.000 local terms energy: -28.402646 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -5.120 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: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -38.796114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.796114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.796114 (E_RNA) where: Base-Base interactions energy: -13.041 where: short stacking energy: -13.041 Base-Backbone interact. energy: -0.000 local terms energy: -25.754750 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -5.319 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: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -40.661525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.661525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.661525 (E_RNA) where: Base-Base interactions energy: -14.395 where: short stacking energy: -14.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.266313 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -37.348223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.348223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.348223 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.001 local terms energy: -24.080705 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -36.570505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.570505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.570505 (E_RNA) where: Base-Base interactions energy: -13.032 where: short stacking energy: -13.032 Base-Backbone interact. energy: -0.000 local terms energy: -23.538789 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -31.777415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.777415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.777415 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.000 local terms energy: -22.841874 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.316 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: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -31.650033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.650033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.650033 (E_RNA) where: Base-Base interactions energy: -13.657 where: short stacking energy: -13.657 Base-Backbone interact. energy: -0.008 local terms energy: -17.985141 where: bonds (distance) C4'-P energy: -3.306 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -28.791583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.791583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.791583 (E_RNA) where: Base-Base interactions energy: -7.845 where: short stacking energy: -7.845 Base-Backbone interact. energy: -0.095 local terms energy: -20.851436 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -4.907 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: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -28.893847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.893847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.893847 (E_RNA) where: Base-Base interactions energy: -8.663 where: short stacking energy: -8.663 Base-Backbone interact. energy: -0.031 local terms energy: -20.199725 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -40.705300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.705300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.705300 (E_RNA) where: Base-Base interactions energy: -14.513 where: short stacking energy: -14.513 Base-Backbone interact. energy: -0.000 local terms energy: -26.191852 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -36.235078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235078 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.034 local terms energy: -24.039567 where: bonds (distance) C4'-P energy: -4.507 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -34.998177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.998177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.998177 (E_RNA) where: Base-Base interactions energy: -15.082 where: short stacking energy: -15.082 Base-Backbone interact. energy: -0.004 local terms energy: -19.912388 where: bonds (distance) C4'-P energy: -3.724 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.067 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: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -36.989160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989160 (E_RNA) where: Base-Base interactions energy: -12.941 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.110 local terms energy: -23.938246 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -40.958481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.958481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.958481 (E_RNA) where: Base-Base interactions energy: -14.669 where: short stacking energy: -14.669 Base-Backbone interact. energy: -0.004 local terms energy: -26.285993 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -30.326003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.326003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.326003 (E_RNA) where: Base-Base interactions energy: -11.818 where: short stacking energy: -11.818 Base-Backbone interact. energy: 0.259 local terms energy: -18.766846 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -33.463268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463268 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.000 local terms energy: -21.323949 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -4.623 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: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -27.883391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.883391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.883391 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: 1.027 local terms energy: -20.485889 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: 1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -30.554006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.554006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.554006 (E_RNA) where: Base-Base interactions energy: -12.103 where: short stacking energy: -12.103 Base-Backbone interact. energy: -0.000 local terms energy: -18.451482 where: bonds (distance) C4'-P energy: -1.365 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -26.619552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.619552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.619552 (E_RNA) where: Base-Base interactions energy: -5.168 where: short stacking energy: -5.168 Base-Backbone interact. energy: -0.050 local terms energy: -21.401179 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -44.131360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.131360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.131360 (E_RNA) where: Base-Base interactions energy: -17.642 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.000 local terms energy: -26.489193 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -41.348925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.348925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.348925 (E_RNA) where: Base-Base interactions energy: -13.801 where: short stacking energy: -13.801 Base-Backbone interact. energy: -0.000 local terms energy: -27.547979 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -40.151657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.151657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.151657 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.000 local terms energy: -27.390630 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -6.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -39.214910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.214910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.214910 (E_RNA) where: Base-Base interactions energy: -13.418 where: short stacking energy: -13.418 Base-Backbone interact. energy: -0.000 local terms energy: -25.796417 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -30.928158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.928158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.928158 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.001 local terms energy: -21.421342 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: 0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -37.517438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.517438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.517438 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.001 local terms energy: -24.601771 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -32.811096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.811096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.811096 (E_RNA) where: Base-Base interactions energy: -13.396 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.001 local terms energy: -19.414394 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.354 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: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -30.143768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.143768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.143768 (E_RNA) where: Base-Base interactions energy: -8.694 where: short stacking energy: -8.694 Base-Backbone interact. energy: -0.000 local terms energy: -21.449320 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -30.891982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.891982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.891982 (E_RNA) where: Base-Base interactions energy: -9.176 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.000 local terms energy: -21.715285 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -30.855488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855488 (E_RNA) where: Base-Base interactions energy: -8.229 where: short stacking energy: -8.229 Base-Backbone interact. energy: -0.010 local terms energy: -22.616607 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.254 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: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -41.547767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.547767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.547767 (E_RNA) where: Base-Base interactions energy: -14.282 where: short stacking energy: -14.282 Base-Backbone interact. energy: -0.000 local terms energy: -27.264958 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -38.078124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.078124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.078124 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.481 Base-Backbone interact. energy: -0.114 local terms energy: -24.483124 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.990 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: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -37.800979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.800979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.800979 (E_RNA) where: Base-Base interactions energy: -12.311 where: short stacking energy: -12.311 Base-Backbone interact. energy: -0.001 local terms energy: -25.489129 where: bonds (distance) C4'-P energy: -3.994 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.181 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: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -32.079706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.079706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.079706 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -9.165 Base-Backbone interact. energy: -0.025 local terms energy: -21.944102 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -36.044723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.044723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.044723 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.019 local terms energy: -24.417435 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -33.685961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.685961 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.054 local terms energy: -24.435408 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -30.794781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.794781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.794781 (E_RNA) where: Base-Base interactions energy: -8.838 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.007 local terms energy: -21.949849 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -32.167492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.167492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.167492 (E_RNA) where: Base-Base interactions energy: -11.565 where: short stacking energy: -7.479 Base-Backbone interact. energy: -0.085 local terms energy: -20.517024 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.409 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: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -31.517887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.517887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.517887 (E_RNA) where: Base-Base interactions energy: -12.897 where: short stacking energy: -10.987 Base-Backbone interact. energy: -0.025 local terms energy: -18.595907 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -0.883 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -28.372708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.372708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.372708 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.135 local terms energy: -20.269452 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -41.940685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.940685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.940685 (E_RNA) where: Base-Base interactions energy: -15.490 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.000 local terms energy: -26.450378 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -5.603 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: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -39.776121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.776121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.776121 (E_RNA) where: Base-Base interactions energy: -13.106 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.719 local terms energy: -25.951075 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -31.630245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.630245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.630245 (E_RNA) where: Base-Base interactions energy: -14.428 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.094 local terms energy: -17.108081 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -3.016 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -0.927 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -38.379109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.379109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.379109 (E_RNA) where: Base-Base interactions energy: -13.029 where: short stacking energy: -13.029 Base-Backbone interact. energy: -0.001 local terms energy: -25.349074 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -33.309356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.309356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.309356 (E_RNA) where: Base-Base interactions energy: -16.174 where: short stacking energy: -16.174 Base-Backbone interact. energy: -0.001 local terms energy: -17.134307 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -2.287 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: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -33.292409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.292409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.292409 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.112 local terms energy: -23.474475 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -32.306096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.306096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.306096 (E_RNA) where: Base-Base interactions energy: -9.747 where: short stacking energy: -9.747 Base-Backbone interact. energy: -0.000 local terms energy: -22.558762 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -1.468 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: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -32.106659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106659 (E_RNA) where: Base-Base interactions energy: -8.777 where: short stacking energy: -8.777 Base-Backbone interact. energy: -0.036 local terms energy: -23.293679 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.430 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: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -27.366175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.366175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.366175 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.015 local terms energy: -19.452901 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -1.629 flat angles P-C4'-P energy: -4.277 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: 10, replica: 5 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -34.337695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.337695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.337695 (E_RNA) where: Base-Base interactions energy: -16.625 where: short stacking energy: -16.625 Base-Backbone interact. energy: -0.223 local terms energy: -17.489640 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -0.686 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -40.403988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.403988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.403988 (E_RNA) where: Base-Base interactions energy: -17.263 where: short stacking energy: -17.263 Base-Backbone interact. energy: -0.000 local terms energy: -23.140666 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.859 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: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -42.537873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.537873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.537873 (E_RNA) where: Base-Base interactions energy: -16.291 where: short stacking energy: -16.291 Base-Backbone interact. energy: -0.000 local terms energy: -26.247127 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -38.909083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.909083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.909083 (E_RNA) where: Base-Base interactions energy: -13.568 where: short stacking energy: -13.568 Base-Backbone interact. energy: 0.461 local terms energy: -25.802619 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -35.733786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.733786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.733786 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.002 local terms energy: -21.736671 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.190 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: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -36.792533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.792533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.792533 (E_RNA) where: Base-Base interactions energy: -12.774 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.049 local terms energy: -23.969472 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -30.905434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.905434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.905434 (E_RNA) where: Base-Base interactions energy: -9.194 where: short stacking energy: -9.194 Base-Backbone interact. energy: -0.000 local terms energy: -21.711390 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.312 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: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -39.829019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.829019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.829019 (E_RNA) where: Base-Base interactions energy: -14.560 where: short stacking energy: -14.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.268648 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.071 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -31.150432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150432 (E_RNA) where: Base-Base interactions energy: -10.100 where: short stacking energy: -10.100 Base-Backbone interact. energy: -0.002 local terms energy: -21.048861 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -2.713 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -31.015337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015337 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.036 local terms energy: -19.042172 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -30.735805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.735805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.735805 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.000 local terms energy: -22.931142 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -42.097755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.097755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.097755 (E_RNA) where: Base-Base interactions energy: -15.461 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.000 local terms energy: -26.636274 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -39.280991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.280991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.280991 (E_RNA) where: Base-Base interactions energy: -13.447 where: short stacking energy: -13.447 Base-Backbone interact. energy: -0.000 local terms energy: -25.834343 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.954 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: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -36.661222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.661222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.661222 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.001 local terms energy: -23.588214 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -39.580821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.580821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.580821 (E_RNA) where: Base-Base interactions energy: -13.573 where: short stacking energy: -13.573 Base-Backbone interact. energy: -0.000 local terms energy: -26.007871 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -33.003280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.003280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.003280 (E_RNA) where: Base-Base interactions energy: -14.080 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.002 local terms energy: -18.921079 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -1.059 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -29.193639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.193639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.193639 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.000 local terms energy: -21.596818 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -32.496638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.496638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.496638 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.000 local terms energy: -18.609739 where: bonds (distance) C4'-P energy: -3.325 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.897 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: 390 Temperature: 1.250000 Total energy: -33.521439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.521439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.521439 (E_RNA) where: Base-Base interactions energy: -13.035 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.177 local terms energy: -20.309982 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -32.783142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.783142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.783142 (E_RNA) where: Base-Base interactions energy: -11.666 where: short stacking energy: -11.666 Base-Backbone interact. energy: -0.082 local terms energy: -21.035212 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: 0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -31.927539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927539 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.000 local terms energy: -20.895642 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -1.393 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: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -42.135871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.135871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.135871 (E_RNA) where: Base-Base interactions energy: -13.518 where: short stacking energy: -13.518 Base-Backbone interact. energy: -0.000 local terms energy: -28.617604 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -38.150274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.150274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.150274 (E_RNA) where: Base-Base interactions energy: -13.065 where: short stacking energy: -13.065 Base-Backbone interact. energy: -0.000 local terms energy: -25.085342 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -35.582730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.582730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.582730 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -13.293 Base-Backbone interact. energy: -0.001 local terms energy: -22.289101 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -35.130271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.130271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.130271 (E_RNA) where: Base-Base interactions energy: -12.459 where: short stacking energy: -12.459 Base-Backbone interact. energy: -0.038 local terms energy: -22.632712 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -34.074802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.074802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.074802 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.002 local terms energy: -21.774558 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -34.212159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.212159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.212159 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.727 Base-Backbone interact. energy: -0.004 local terms energy: -21.481701 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -35.550069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.550069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.550069 (E_RNA) where: Base-Base interactions energy: -10.837 where: short stacking energy: -10.837 Base-Backbone interact. energy: -0.092 local terms energy: -24.620522 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -30.349527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.349527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.349527 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.033 local terms energy: -19.518928 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.073 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: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -29.931223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.931223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.931223 (E_RNA) where: Base-Base interactions energy: -7.521 where: short stacking energy: -7.521 Base-Backbone interact. energy: -0.000 local terms energy: -22.409470 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -28.291383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.291383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.291383 (E_RNA) where: Base-Base interactions energy: -9.905 where: short stacking energy: -9.905 Base-Backbone interact. energy: -0.016 local terms energy: -18.370469 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -2.096 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -37.086729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.086729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.086729 (E_RNA) where: Base-Base interactions energy: -13.709 where: short stacking energy: -10.095 Base-Backbone interact. energy: -0.028 local terms energy: -23.349738 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.843 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: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -36.533434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.533434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.533434 (E_RNA) where: Base-Base interactions energy: -12.696 where: short stacking energy: -12.696 Base-Backbone interact. energy: -0.000 local terms energy: -23.837453 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -38.187251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.187251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.187251 (E_RNA) where: Base-Base interactions energy: -14.806 where: short stacking energy: -14.806 Base-Backbone interact. energy: -0.001 local terms energy: -23.380938 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -5.023 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: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -35.023609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.023609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.023609 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.043 local terms energy: -24.872717 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -31.759616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.759616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.759616 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: -6.379 Base-Backbone interact. energy: -0.000 local terms energy: -25.380060 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -38.875603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.875603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.875603 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.051 local terms energy: -25.013860 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -5.344 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: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -30.755278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.755278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.755278 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.064 local terms energy: -18.986703 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -31.354899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.354899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.354899 (E_RNA) where: Base-Base interactions energy: -10.251 where: short stacking energy: -10.251 Base-Backbone interact. energy: -0.084 local terms energy: -21.019937 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -34.721659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.721659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.721659 (E_RNA) where: Base-Base interactions energy: -12.035 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.000 local terms energy: -22.686236 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -33.509977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509977 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.010 local terms energy: -21.357512 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -39.424111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.424111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.424111 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.001 local terms energy: -27.284298 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -5.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -38.765748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.765748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.765748 (E_RNA) where: Base-Base interactions energy: -14.969 where: short stacking energy: -14.969 Base-Backbone interact. energy: -0.000 local terms energy: -23.796343 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -36.393602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.393602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.393602 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -13.987 Base-Backbone interact. energy: -0.004 local terms energy: -22.403180 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.519 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -32.342554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342554 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.017 local terms energy: -22.352986 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.369 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: 5, replica: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -40.473115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.473115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.473115 (E_RNA) where: Base-Base interactions energy: -17.230 where: short stacking energy: -17.230 Base-Backbone interact. energy: -0.003 local terms energy: -23.240037 where: bonds (distance) C4'-P energy: -1.896 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.605 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: 393 Temperature: 1.150000 Total energy: -34.457552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.457552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.457552 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.976 Base-Backbone interact. energy: -0.004 local terms energy: -20.478087 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -29.482717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.482717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.482717 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.005 local terms energy: -21.926438 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -32.189329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.189329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.189329 (E_RNA) where: Base-Base interactions energy: -12.534 where: short stacking energy: -12.534 Base-Backbone interact. energy: -0.003 local terms energy: -19.651730 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -30.450940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.450940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.450940 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.011 local terms energy: -22.651993 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -30.890463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.890463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.890463 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.000 local terms energy: -21.928765 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -39.082376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.082376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.082376 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.000 local terms energy: -25.344255 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -40.727243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.727243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.727243 (E_RNA) where: Base-Base interactions energy: -14.770 where: short stacking energy: -14.770 Base-Backbone interact. energy: -0.000 local terms energy: -25.957062 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -41.325596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.325596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.325596 (E_RNA) where: Base-Base interactions energy: -14.359 where: short stacking energy: -14.359 Base-Backbone interact. energy: -0.000 local terms energy: -26.966187 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -31.882311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.882311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.882311 (E_RNA) where: Base-Base interactions energy: -9.499 where: short stacking energy: -9.499 Base-Backbone interact. energy: -0.111 local terms energy: -22.271448 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.797 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: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -34.852041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852041 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.034 local terms energy: -23.092805 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -31.920469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920469 (E_RNA) where: Base-Base interactions energy: -12.068 where: short stacking energy: -12.068 Base-Backbone interact. energy: -0.010 local terms energy: -19.842418 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -2.049 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -29.000620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.000620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.000620 (E_RNA) where: Base-Base interactions energy: -12.336 where: short stacking energy: -12.336 Base-Backbone interact. energy: -0.429 local terms energy: -16.235590 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -1.003 flat angles P-C4'-P energy: -4.625 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: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -30.034783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.034783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.034783 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -13.667 Base-Backbone interact. energy: -0.037 local terms energy: -16.330746 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -3.543 flat angles C4'-P-C4' energy: -1.920 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -32.386480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.386480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.386480 (E_RNA) where: Base-Base interactions energy: -9.009 where: short stacking energy: -9.009 Base-Backbone interact. energy: -0.000 local terms energy: -23.377114 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -32.480514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480514 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.000 local terms energy: -24.632207 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -41.368317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.368317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.368317 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.001 local terms energy: -27.901071 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -38.593763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.593763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.593763 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.029 local terms energy: -24.849995 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.444 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: 395 Temperature: 1.000000 Total energy: -36.434223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.434223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.434223 (E_RNA) where: Base-Base interactions energy: -13.971 where: short stacking energy: -13.971 Base-Backbone interact. energy: -0.001 local terms energy: -22.462077 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -35.945913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.945913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.945913 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.000 local terms energy: -25.248014 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -6.106 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -33.648265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.648265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.648265 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.180 local terms energy: -20.577892 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -1.875 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: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -38.005319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005319 (E_RNA) where: Base-Base interactions energy: -15.219 where: short stacking energy: -15.219 Base-Backbone interact. energy: -0.000 local terms energy: -22.786438 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -36.273858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.273858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.273858 (E_RNA) where: Base-Base interactions energy: -16.007 where: short stacking energy: -16.007 Base-Backbone interact. energy: -0.000 local terms energy: -20.267089 where: bonds (distance) C4'-P energy: -3.913 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -30.680235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.680235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.680235 (E_RNA) where: Base-Base interactions energy: -7.619 where: short stacking energy: -7.619 Base-Backbone interact. energy: -0.000 local terms energy: -23.060945 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -32.153691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.153691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.153691 (E_RNA) where: Base-Base interactions energy: -10.347 where: short stacking energy: -10.347 Base-Backbone interact. energy: -0.000 local terms energy: -21.806552 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -29.227323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.227323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.227323 (E_RNA) where: Base-Base interactions energy: -8.075 where: short stacking energy: -8.156 Base-Backbone interact. energy: -0.000 local terms energy: -21.152008 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -1.815 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: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -37.218239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.218239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.218239 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.000 local terms energy: -26.474946 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -36.697912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.697912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.697912 (E_RNA) where: Base-Base interactions energy: -14.127 where: short stacking energy: -14.127 Base-Backbone interact. energy: -0.006 local terms energy: -22.564914 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -34.137207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137207 (E_RNA) where: Base-Base interactions energy: -10.288 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.084 local terms energy: -23.764674 where: bonds (distance) C4'-P energy: -3.622 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -32.757497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.757497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.757497 (E_RNA) where: Base-Base interactions energy: -11.423 where: short stacking energy: -11.423 Base-Backbone interact. energy: -0.191 local terms energy: -21.143895 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -3.878 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: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -34.003974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.003974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.003974 (E_RNA) where: Base-Base interactions energy: -15.169 where: short stacking energy: -15.169 Base-Backbone interact. energy: -0.254 local terms energy: -18.580502 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.699 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -34.324033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.324033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.324033 (E_RNA) where: Base-Base interactions energy: -8.650 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.000 local terms energy: -25.673607 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -35.339206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.339206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.339206 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.005 local terms energy: -21.447383 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -2.634 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.140 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: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -28.074388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.074388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.074388 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.453 Base-Backbone interact. energy: -0.001 local terms energy: -19.620572 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -4.281 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: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -31.411831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.411831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.411831 (E_RNA) where: Base-Base interactions energy: -13.675 where: short stacking energy: -13.675 Base-Backbone interact. energy: -0.000 local terms energy: -17.737267 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -0.903 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: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -27.207578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.207578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.207578 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.901 Base-Backbone interact. energy: -0.001 local terms energy: -18.306481 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.079 flat angles C4'-P-C4' energy: -3.529 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: 0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -46.361310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.361310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.361310 (E_RNA) where: Base-Base interactions energy: -17.804 where: short stacking energy: -17.804 Base-Backbone interact. energy: -0.000 local terms energy: -28.557555 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -38.994111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.994111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.994111 (E_RNA) where: Base-Base interactions energy: -16.891 where: short stacking energy: -16.891 Base-Backbone interact. energy: -0.052 local terms energy: -22.051058 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -33.200869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.200869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.200869 (E_RNA) where: Base-Base interactions energy: -12.225 where: short stacking energy: -12.225 Base-Backbone interact. energy: -0.015 local terms energy: -20.960997 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -0.052 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: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -34.974610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.974610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.974610 (E_RNA) where: Base-Base interactions energy: -14.789 where: short stacking energy: -14.789 Base-Backbone interact. energy: -0.000 local terms energy: -20.185937 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.163 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: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -39.642389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.642389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.642389 (E_RNA) where: Base-Base interactions energy: -12.118 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.000 local terms energy: -27.524212 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -33.888576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.888576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.888576 (E_RNA) where: Base-Base interactions energy: -9.433 where: short stacking energy: -9.433 Base-Backbone interact. energy: -0.006 local terms energy: -24.449391 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -28.260607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.260607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.260607 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.006 local terms energy: -18.443768 where: bonds (distance) C4'-P energy: -2.935 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -30.890072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.890072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.890072 (E_RNA) where: Base-Base interactions energy: -12.232 where: short stacking energy: -12.232 Base-Backbone interact. energy: -0.006 local terms energy: -18.651735 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -3.370 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: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -31.852157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.852157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.852157 (E_RNA) where: Base-Base interactions energy: -8.571 where: short stacking energy: -8.571 Base-Backbone interact. energy: -0.002 local terms energy: -23.279285 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -26.684318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.684318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.684318 (E_RNA) where: Base-Base interactions energy: -3.753 where: short stacking energy: -3.753 Base-Backbone interact. energy: -0.097 local terms energy: -22.833577 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -40.546152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.546152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.546152 (E_RNA) where: Base-Base interactions energy: -16.752 where: short stacking energy: -16.752 Base-Backbone interact. energy: 0.331 local terms energy: -24.125017 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -4.625 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: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -39.509908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.509908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.509908 (E_RNA) where: Base-Base interactions energy: -15.657 where: short stacking energy: -15.657 Base-Backbone interact. energy: -0.000 local terms energy: -23.853056 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -34.045801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.045801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.045801 (E_RNA) where: Base-Base interactions energy: -10.181 where: short stacking energy: -10.181 Base-Backbone interact. energy: -0.086 local terms energy: -23.779222 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.743 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: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -33.326739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.326739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.326739 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.033 local terms energy: -18.851418 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -1.020 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: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -35.506421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.506421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.506421 (E_RNA) where: Base-Base interactions energy: -15.715 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.000 local terms energy: -19.791243 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -0.059 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -34.714857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.714857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.714857 (E_RNA) where: Base-Base interactions energy: -17.385 where: short stacking energy: -17.385 Base-Backbone interact. energy: -0.000 local terms energy: -17.329418 where: bonds (distance) C4'-P energy: -2.757 bonds (distance) P-C4' energy: -3.552 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -4.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -30.647172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.647172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.647172 (E_RNA) where: Base-Base interactions energy: -11.220 where: short stacking energy: -11.220 Base-Backbone interact. energy: -0.030 local terms energy: -19.397331 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -1.856 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: 398 Temperature: 1.250000 Total energy: -31.271119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271119 (E_RNA) where: Base-Base interactions energy: -13.263 where: short stacking energy: -13.263 Base-Backbone interact. energy: -0.000 local terms energy: -18.007646 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: 1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -30.049332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.049332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.049332 (E_RNA) where: Base-Base interactions energy: -16.076 where: short stacking energy: -16.076 Base-Backbone interact. energy: -0.001 local terms energy: -13.972287 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.092 tors. eta vs tors. theta energy: 0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -28.972554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.972554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.972554 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.084 local terms energy: -21.300191 where: bonds (distance) C4'-P energy: -2.893 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.925 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: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -35.712738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.712738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.712738 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.047 local terms energy: -23.379079 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -3.135 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: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -41.482949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.482949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.482949 (E_RNA) where: Base-Base interactions energy: -16.616 where: short stacking energy: -16.616 Base-Backbone interact. energy: -0.003 local terms energy: -24.864854 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -4.773 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: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -40.370030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.370030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.370030 (E_RNA) where: Base-Base interactions energy: -13.977 where: short stacking energy: -13.977 Base-Backbone interact. energy: -0.102 local terms energy: -26.291155 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -37.048662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.048662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.048662 (E_RNA) where: Base-Base interactions energy: -13.123 where: short stacking energy: -13.123 Base-Backbone interact. energy: -0.001 local terms energy: -23.925104 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -31.987243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.987243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.987243 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.004 local terms energy: -23.129044 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -34.760553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.760553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.760553 (E_RNA) where: Base-Base interactions energy: -10.432 where: short stacking energy: -10.432 Base-Backbone interact. energy: -0.100 local terms energy: -24.228197 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -38.250886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.250886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.250886 (E_RNA) where: Base-Base interactions energy: -14.728 where: short stacking energy: -14.728 Base-Backbone interact. energy: -0.008 local terms energy: -23.515653 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -30.693128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.693128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.693128 (E_RNA) where: Base-Base interactions energy: -11.347 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.078 local terms energy: -19.268358 where: bonds (distance) C4'-P energy: -2.889 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -31.209280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.209280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.209280 (E_RNA) where: Base-Base interactions energy: -9.451 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.012 local terms energy: -21.746803 where: bonds (distance) C4'-P energy: -4.407 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -27.711279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.711279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.711279 (E_RNA) where: Base-Base interactions energy: -5.562 where: short stacking energy: -5.562 Base-Backbone interact. energy: -0.688 local terms energy: -21.461177 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.713 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: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -43.488417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.488417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.488417 (E_RNA) where: Base-Base interactions energy: -16.961 where: short stacking energy: -16.961 Base-Backbone interact. energy: -0.000 local terms energy: -26.527141 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -40.453402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.453402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.453402 (E_RNA) where: Base-Base interactions energy: -18.322 where: short stacking energy: -18.322 Base-Backbone interact. energy: -0.000 local terms energy: -22.131078 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -39.620734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.620734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.620734 (E_RNA) where: Base-Base interactions energy: -13.502 where: short stacking energy: -13.502 Base-Backbone interact. energy: -0.006 local terms energy: -26.113183 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -35.578777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.578777 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.000 local terms energy: -22.232782 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.509 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: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -35.304238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.304238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.304238 (E_RNA) where: Base-Base interactions energy: -15.759 where: short stacking energy: -15.759 Base-Backbone interact. energy: -0.007 local terms energy: -19.538611 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -0.500 flat angles P-C4'-P energy: -4.870 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: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -34.204318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.204318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.204318 (E_RNA) where: Base-Base interactions energy: -11.208 where: short stacking energy: -11.208 Base-Backbone interact. energy: -0.004 local terms energy: -22.992231 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -32.071896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.071896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.071896 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: 0.278 local terms energy: -21.652516 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: 0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -35.115621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.115621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.115621 (E_RNA) where: Base-Base interactions energy: -13.638 where: short stacking energy: -13.638 Base-Backbone interact. energy: -0.000 local terms energy: -21.477273 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -28.985238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.985238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.985238 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.000 local terms energy: -20.489328 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -4.840 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: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -29.252872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.252872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.252872 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.350 Base-Backbone interact. energy: -0.000 local terms energy: -21.903349 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -36.890154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.890154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.890154 (E_RNA) where: Base-Base interactions energy: -13.881 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.001 local terms energy: -23.008495 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -31.707641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.707641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.707641 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.467 local terms energy: -22.903575 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -35.718755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.718755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.718755 (E_RNA) where: Base-Base interactions energy: -12.354 where: short stacking energy: -12.354 Base-Backbone interact. energy: -0.000 local terms energy: -23.364878 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -3.876 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: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -35.700167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.700167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.700167 (E_RNA) where: Base-Base interactions energy: -17.177 where: short stacking energy: -17.177 Base-Backbone interact. energy: -0.004 local terms energy: -18.519146 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -2.628 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: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -31.370291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.370291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.370291 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.399 local terms energy: -20.106376 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -3.438 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: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -36.104589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.104589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.104589 (E_RNA) where: Base-Base interactions energy: -17.497 where: short stacking energy: -17.497 Base-Backbone interact. energy: -0.000 local terms energy: -18.607686 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -34.700234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700234 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.000 local terms energy: -22.579278 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -1.543 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -4.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -29.399023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.399023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.399023 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -12.701 Base-Backbone interact. energy: -0.131 local terms energy: -16.567589 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -0.031 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: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -25.860637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.860637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.860637 (E_RNA) where: Base-Base interactions energy: -7.761 where: short stacking energy: -7.761 Base-Backbone interact. energy: -0.014 local terms energy: -18.086054 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -4.291 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: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -31.343597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.343597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.343597 (E_RNA) where: Base-Base interactions energy: -8.911 where: short stacking energy: -8.911 Base-Backbone interact. energy: -0.090 local terms energy: -22.342192 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.423 flat angles P-C4'-P energy: -3.757 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: 402 Temperature: 0.900000 Total energy: -38.979018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.979018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.979018 (E_RNA) where: Base-Base interactions energy: -13.648 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.000 local terms energy: -25.330873 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -38.959322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.959322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.959322 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.000 local terms energy: -25.669997 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -32.186568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.186568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.186568 (E_RNA) where: Base-Base interactions energy: -12.417 where: short stacking energy: -12.417 Base-Backbone interact. energy: -0.000 local terms energy: -19.769462 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -34.462916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.462916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.462916 (E_RNA) where: Base-Base interactions energy: -13.610 where: short stacking energy: -13.610 Base-Backbone interact. energy: -0.000 local terms energy: -20.852602 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -4.550 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: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -37.266094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.266094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.266094 (E_RNA) where: Base-Base interactions energy: -13.953 where: short stacking energy: -13.953 Base-Backbone interact. energy: -0.001 local terms energy: -23.312455 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -4.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -31.902730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.902730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.902730 (E_RNA) where: Base-Base interactions energy: -8.517 where: short stacking energy: -8.517 Base-Backbone interact. energy: -0.050 local terms energy: -23.335897 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -39.613473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.613473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.613473 (E_RNA) where: Base-Base interactions energy: -13.525 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.000 local terms energy: -26.088174 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -31.362867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.362867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.362867 (E_RNA) where: Base-Base interactions energy: -9.067 where: short stacking energy: -9.067 Base-Backbone interact. energy: -0.100 local terms energy: -22.195295 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -3.391 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: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -29.423282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.423282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.423282 (E_RNA) where: Base-Base interactions energy: -8.789 where: short stacking energy: -8.789 Base-Backbone interact. energy: -0.144 local terms energy: -20.490787 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -27.511990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.511990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.511990 (E_RNA) where: Base-Base interactions energy: -6.930 where: short stacking energy: -6.930 Base-Backbone interact. energy: -0.032 local terms energy: -20.550369 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -41.725739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.725739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.725739 (E_RNA) where: Base-Base interactions energy: -16.620 where: short stacking energy: -16.620 Base-Backbone interact. energy: -0.000 local terms energy: -25.105306 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -38.936295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.936295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.936295 (E_RNA) where: Base-Base interactions energy: -14.198 where: short stacking energy: -14.198 Base-Backbone interact. energy: -0.000 local terms energy: -24.738187 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -36.427109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.427109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.427109 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.000 local terms energy: -23.138465 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -38.198025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.198025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.198025 (E_RNA) where: Base-Base interactions energy: -13.296 where: short stacking energy: -13.296 Base-Backbone interact. energy: -0.002 local terms energy: -24.900554 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.749 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: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -32.557025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.557025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.557025 (E_RNA) where: Base-Base interactions energy: -9.100 where: short stacking energy: -8.513 Base-Backbone interact. energy: -0.097 local terms energy: -23.360111 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -2.098 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -37.506044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.506044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.506044 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.002 local terms energy: -23.551801 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.606 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: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -32.154590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.154590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.154590 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -11.430 Base-Backbone interact. energy: -0.047 local terms energy: -20.678201 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.106 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: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -27.794168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.794168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.794168 (E_RNA) where: Base-Base interactions energy: -5.489 where: short stacking energy: -5.489 Base-Backbone interact. energy: -0.071 local terms energy: -22.234785 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -29.340483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.340483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.340483 (E_RNA) where: Base-Base interactions energy: -10.466 where: short stacking energy: -10.466 Base-Backbone interact. energy: -0.150 local terms energy: -18.724331 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: 1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -28.640380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.640380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.640380 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.100 local terms energy: -20.583176 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -2.391 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: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -46.150717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.150717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.150717 (E_RNA) where: Base-Base interactions energy: -16.725 where: short stacking energy: -16.725 Base-Backbone interact. energy: -0.000 local terms energy: -29.425714 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -6.698 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: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -39.928339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.928339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.928339 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.001 local terms energy: -25.593951 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -3.886 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: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -34.149020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.149020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.149020 (E_RNA) where: Base-Base interactions energy: -8.170 where: short stacking energy: -8.170 Base-Backbone interact. energy: -0.003 local terms energy: -25.976401 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -5.371 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: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -35.657038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.657038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.657038 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -16.157 Base-Backbone interact. energy: -0.021 local terms energy: -19.479185 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -3.352 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: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -33.968053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.968053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.968053 (E_RNA) where: Base-Base interactions energy: -12.748 where: short stacking energy: -12.748 Base-Backbone interact. energy: -0.018 local terms energy: -21.201745 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -3.207 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -28.017741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.017741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.017741 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.007 local terms energy: -18.891689 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -34.994467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.994467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.994467 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.191 local terms energy: -23.769334 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -33.293896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.293896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.293896 (E_RNA) where: Base-Base interactions energy: -10.093 where: short stacking energy: -10.093 Base-Backbone interact. energy: -0.000 local terms energy: -23.200369 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -28.698414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.698414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.698414 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.163 local terms energy: -17.043187 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: 0.222 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -28.044183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.044183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.044183 (E_RNA) where: Base-Base interactions energy: -13.258 where: short stacking energy: -13.258 Base-Backbone interact. energy: -0.001 local terms energy: -14.785356 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -0.190 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: 405 Temperature: 0.900000 Total energy: -40.394524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394524 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: 0.260 local terms energy: -26.331792 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -42.191344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.191344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.191344 (E_RNA) where: Base-Base interactions energy: -17.868 where: short stacking energy: -17.868 Base-Backbone interact. energy: -0.003 local terms energy: -24.320470 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.773 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: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -39.169117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169117 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.017 local terms energy: -26.168072 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -35.662067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662067 (E_RNA) where: Base-Base interactions energy: -11.833 where: short stacking energy: -11.833 Base-Backbone interact. energy: -0.005 local terms energy: -23.823929 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -36.971013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.971013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.971013 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.000 local terms energy: -24.206820 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -37.553230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.553230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.553230 (E_RNA) where: Base-Base interactions energy: -15.637 where: short stacking energy: -15.637 Base-Backbone interact. energy: -0.002 local terms energy: -21.913908 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -3.960 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: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -35.692179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.692179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.692179 (E_RNA) where: Base-Base interactions energy: -16.770 where: short stacking energy: -16.770 Base-Backbone interact. energy: -0.079 local terms energy: -18.842888 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.267 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: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -30.561627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.561627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.561627 (E_RNA) where: Base-Base interactions energy: -8.498 where: short stacking energy: -8.498 Base-Backbone interact. energy: -0.021 local terms energy: -22.042997 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.774 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: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -29.747980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.747980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.747980 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.061 local terms energy: -21.391443 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.785 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: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -29.098495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.098495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.098495 (E_RNA) where: Base-Base interactions energy: -7.496 where: short stacking energy: -7.496 Base-Backbone interact. energy: -0.000 local terms energy: -21.602601 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -36.444990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444990 (E_RNA) where: Base-Base interactions energy: -13.629 where: short stacking energy: -13.629 Base-Backbone interact. energy: -0.024 local terms energy: -22.792100 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.995 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: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -41.630534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.630534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.630534 (E_RNA) where: Base-Base interactions energy: -17.009 where: short stacking energy: -17.009 Base-Backbone interact. energy: -0.002 local terms energy: -24.620103 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -35.374504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.374504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.374504 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.106 local terms energy: -24.738668 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -38.400014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400014 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.009 local terms energy: -25.763156 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.599 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: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -31.464450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.464450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.464450 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.001 local terms energy: -22.575626 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -36.282820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282820 (E_RNA) where: Base-Base interactions energy: -13.661 where: short stacking energy: -13.661 Base-Backbone interact. energy: -0.000 local terms energy: -22.621753 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.384 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -31.826882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826882 (E_RNA) where: Base-Base interactions energy: -13.369 where: short stacking energy: -13.369 Base-Backbone interact. energy: 1.211 local terms energy: -19.669770 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -29.475323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.475323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.475323 (E_RNA) where: Base-Base interactions energy: -8.942 where: short stacking energy: -8.942 Base-Backbone interact. energy: 0.181 local terms energy: -20.714589 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -31.038029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.038029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.038029 (E_RNA) where: Base-Base interactions energy: -12.982 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.056 local terms energy: -17.999865 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: 0.152 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -28.318536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.318536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.318536 (E_RNA) where: Base-Base interactions energy: -5.939 where: short stacking energy: -5.939 Base-Backbone interact. energy: -0.001 local terms energy: -22.377887 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -39.277758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.277758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.277758 (E_RNA) where: Base-Base interactions energy: -12.318 where: short stacking energy: -12.318 Base-Backbone interact. energy: -0.025 local terms energy: -26.935246 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -38.306016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.306016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.306016 (E_RNA) where: Base-Base interactions energy: -15.810 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.004 local terms energy: -22.492568 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.616 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -40.590265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.590265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.590265 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -17.999 Base-Backbone interact. energy: -0.000 local terms energy: -22.590837 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -35.623278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.623278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.623278 (E_RNA) where: Base-Base interactions energy: -10.072 where: short stacking energy: -10.072 Base-Backbone interact. energy: -0.011 local terms energy: -25.540446 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -40.120947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.120947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.120947 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.031 local terms energy: -24.248800 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -32.074146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.074146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.074146 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.045 local terms energy: -20.550640 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.235 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -39.952050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.952050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.952050 (E_RNA) where: Base-Base interactions energy: -13.401 where: short stacking energy: -13.401 Base-Backbone interact. energy: -0.000 local terms energy: -26.550654 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -28.760050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.760050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.760050 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.000 local terms energy: -19.252409 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -3.542 flat angles C4'-P-C4' energy: -3.129 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -29.918687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.918687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.918687 (E_RNA) where: Base-Base interactions energy: -9.005 where: short stacking energy: -9.005 Base-Backbone interact. energy: -0.001 local terms energy: -20.912138 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -4.756 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: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -27.528541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.528541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.528541 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.012 local terms energy: -19.571032 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: 1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -39.423497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.423497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.423497 (E_RNA) where: Base-Base interactions energy: -14.235 where: short stacking energy: -13.931 Base-Backbone interact. energy: -0.000 local terms energy: -25.188678 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -35.552248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.552248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.552248 (E_RNA) where: Base-Base interactions energy: -10.692 where: short stacking energy: -10.692 Base-Backbone interact. energy: -0.024 local terms energy: -24.835992 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -34.321572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.321572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.321572 (E_RNA) where: Base-Base interactions energy: -15.676 where: short stacking energy: -15.676 Base-Backbone interact. energy: -0.000 local terms energy: -18.645705 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.457 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: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -38.214913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.214913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.214913 (E_RNA) where: Base-Base interactions energy: -13.939 where: short stacking energy: -13.939 Base-Backbone interact. energy: -0.006 local terms energy: -24.269860 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -33.492771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.492771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.492771 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.006 local terms energy: -21.721602 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -33.690968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.690968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.690968 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.000 local terms energy: -24.806485 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -31.757777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.757777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.757777 (E_RNA) where: Base-Base interactions energy: -8.711 where: short stacking energy: -8.711 Base-Backbone interact. energy: -0.000 local terms energy: -23.046561 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -30.881923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.881923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.881923 (E_RNA) where: Base-Base interactions energy: -9.285 where: short stacking energy: -9.285 Base-Backbone interact. energy: -0.092 local terms energy: -21.504938 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.416 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: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -32.865522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.865522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.865522 (E_RNA) where: Base-Base interactions energy: -8.426 where: short stacking energy: -8.426 Base-Backbone interact. energy: -0.005 local terms energy: -24.434933 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -30.699600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699600 (E_RNA) where: Base-Base interactions energy: -10.201 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.011 local terms energy: -20.487361 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -43.939086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.939086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.939086 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -14.380 Base-Backbone interact. energy: -0.000 local terms energy: -29.559068 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -39.807256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.807256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.807256 (E_RNA) where: Base-Base interactions energy: -14.942 where: short stacking energy: -14.299 Base-Backbone interact. energy: -0.000 local terms energy: -24.865669 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -36.031580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.031580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.031580 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.026 local terms energy: -23.030673 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -39.849635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.849635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.849635 (E_RNA) where: Base-Base interactions energy: -13.782 where: short stacking energy: -13.814 Base-Backbone interact. energy: -0.009 local terms energy: -26.058308 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -5.357 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: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -33.382198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.382198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.382198 (E_RNA) where: Base-Base interactions energy: -9.707 where: short stacking energy: -9.707 Base-Backbone interact. energy: -0.169 local terms energy: -23.506334 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -29.055994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.055994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.055994 (E_RNA) where: Base-Base interactions energy: -9.819 where: short stacking energy: -9.819 Base-Backbone interact. energy: -0.103 local terms energy: -19.134583 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: 1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -33.101063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.101063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.101063 (E_RNA) where: Base-Base interactions energy: -10.295 where: short stacking energy: -10.295 Base-Backbone interact. energy: -0.000 local terms energy: -22.805779 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -31.949898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949898 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.067 local terms energy: -21.961261 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -4.461 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: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -30.722000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722000 (E_RNA) where: Base-Base interactions energy: -10.222 where: short stacking energy: -10.222 Base-Backbone interact. energy: -0.000 local terms energy: -20.499643 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -29.637517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.637517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.637517 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.012 local terms energy: -20.684745 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -4.787 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: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -46.848944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.848944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.848944 (E_RNA) where: Base-Base interactions energy: -18.103 where: short stacking energy: -18.103 Base-Backbone interact. energy: -0.000 local terms energy: -28.746165 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -6.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -38.300660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.300660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.300660 (E_RNA) where: Base-Base interactions energy: -13.445 where: short stacking energy: -13.445 Base-Backbone interact. energy: -0.032 local terms energy: -24.823584 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -3.593 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: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -31.380401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.380401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.380401 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.082 local terms energy: -21.205986 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.992 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: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -32.093918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.093918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.093918 (E_RNA) where: Base-Base interactions energy: -9.620 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.002 local terms energy: -22.471691 where: bonds (distance) C4'-P energy: -3.627 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -5.156 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: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -40.541722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.541722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.541722 (E_RNA) where: Base-Base interactions energy: -14.719 where: short stacking energy: -14.719 Base-Backbone interact. energy: -0.000 local terms energy: -25.823164 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -38.908844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.908844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.908844 (E_RNA) where: Base-Base interactions energy: -15.645 where: short stacking energy: -15.645 Base-Backbone interact. energy: -0.000 local terms energy: -23.263784 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -32.097143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.097143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.097143 (E_RNA) where: Base-Base interactions energy: -10.300 where: short stacking energy: -10.300 Base-Backbone interact. energy: -0.017 local terms energy: -21.780430 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -28.886523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.886523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.886523 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.005 local terms energy: -21.389712 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -5.126 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: 9, replica: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -30.565884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.565884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.565884 (E_RNA) where: Base-Base interactions energy: -12.699 where: short stacking energy: -12.699 Base-Backbone interact. energy: -0.031 local terms energy: -17.835631 where: bonds (distance) C4'-P energy: -2.242 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -29.354809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.354809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.354809 (E_RNA) where: Base-Base interactions energy: -6.999 where: short stacking energy: -6.999 Base-Backbone interact. energy: -0.000 local terms energy: -22.355604 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -43.785163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.785163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.785163 (E_RNA) where: Base-Base interactions energy: -16.843 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.000 local terms energy: -26.942247 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -4.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -37.300628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.300628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.300628 (E_RNA) where: Base-Base interactions energy: -16.984 where: short stacking energy: -16.984 Base-Backbone interact. energy: -0.001 local terms energy: -20.315411 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -2.245 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -39.522816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.522816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.522816 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -17.354 Base-Backbone interact. energy: -0.000 local terms energy: -22.168515 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -2.470 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: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -34.756598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.756598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.756598 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -12.223 Base-Backbone interact. energy: 0.328 local terms energy: -23.341628 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -36.792886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.792886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.792886 (E_RNA) where: Base-Base interactions energy: -13.395 where: short stacking energy: -13.395 Base-Backbone interact. energy: -0.001 local terms energy: -23.396850 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -3.604 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: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -35.691676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.691676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.691676 (E_RNA) where: Base-Base interactions energy: -12.956 where: short stacking energy: -12.956 Base-Backbone interact. energy: -0.000 local terms energy: -22.736134 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -33.377638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.377638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.377638 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.012 local terms energy: -20.145187 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -0.610 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: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -31.150169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150169 (E_RNA) where: Base-Base interactions energy: -7.703 where: short stacking energy: -7.703 Base-Backbone interact. energy: -0.001 local terms energy: -23.446601 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -3.390 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: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -37.314691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314691 (E_RNA) where: Base-Base interactions energy: -16.981 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.000 local terms energy: -20.334010 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -3.520 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: 411 Temperature: 1.350000 Total energy: -28.671164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.671164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.671164 (E_RNA) where: Base-Base interactions energy: -11.511 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.099 local terms energy: -17.060626 where: bonds (distance) C4'-P energy: -2.628 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -42.017568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.017568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.017568 (E_RNA) where: Base-Base interactions energy: -18.138 where: short stacking energy: -18.138 Base-Backbone interact. energy: -0.000 local terms energy: -23.879680 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -39.488170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.488170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.488170 (E_RNA) where: Base-Base interactions energy: -16.472 where: short stacking energy: -16.472 Base-Backbone interact. energy: -0.000 local terms energy: -23.016281 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -40.498209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.498209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.498209 (E_RNA) where: Base-Base interactions energy: -16.618 where: short stacking energy: -16.618 Base-Backbone interact. energy: -0.000 local terms energy: -23.880326 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -31.221964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.221964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.221964 (E_RNA) where: Base-Base interactions energy: -10.786 where: short stacking energy: -10.786 Base-Backbone interact. energy: -0.128 local terms energy: -20.307954 where: bonds (distance) C4'-P energy: -3.133 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -5.374 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: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -33.967615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.967615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.967615 (E_RNA) where: Base-Base interactions energy: -12.235 where: short stacking energy: -12.235 Base-Backbone interact. energy: -0.010 local terms energy: -21.722740 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -1.694 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -27.346398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.346398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.346398 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.097 local terms energy: -19.273845 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -4.679 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: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -33.369237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.369237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.369237 (E_RNA) where: Base-Base interactions energy: -10.430 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.095 local terms energy: -22.845001 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -29.063420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.063420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.063420 (E_RNA) where: Base-Base interactions energy: -8.671 where: short stacking energy: -8.671 Base-Backbone interact. energy: -0.001 local terms energy: -20.391899 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.221 flat angles P-C4'-P energy: -4.078 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: 9, replica: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -29.091498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.091498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.091498 (E_RNA) where: Base-Base interactions energy: -8.188 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.097 local terms energy: -20.807101 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -5.268 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: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -37.107896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.107896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.107896 (E_RNA) where: Base-Base interactions energy: -11.053 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.000 local terms energy: -26.054459 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.459 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: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -39.679623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.679623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.679623 (E_RNA) where: Base-Base interactions energy: -14.773 where: short stacking energy: -14.773 Base-Backbone interact. energy: -0.027 local terms energy: -24.879083 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -41.549211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549211 (E_RNA) where: Base-Base interactions energy: -15.062 where: short stacking energy: -15.062 Base-Backbone interact. energy: -0.000 local terms energy: -26.486991 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.283 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: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -34.504636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.504636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.504636 (E_RNA) where: Base-Base interactions energy: -12.170 where: short stacking energy: -12.170 Base-Backbone interact. energy: -0.005 local terms energy: -22.329901 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -43.464042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.464042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.464042 (E_RNA) where: Base-Base interactions energy: -17.361 where: short stacking energy: -17.361 Base-Backbone interact. energy: -0.000 local terms energy: -26.102829 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -37.051299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.051299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.051299 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.000 local terms energy: -23.717223 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.324 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: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -38.670577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.670577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.670577 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.933 Base-Backbone interact. energy: -0.000 local terms energy: -22.737964 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -34.962273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.962273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.962273 (E_RNA) where: Base-Base interactions energy: -14.356 where: short stacking energy: -14.356 Base-Backbone interact. energy: 1.205 local terms energy: -21.811295 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.081 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: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -28.242974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.242974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.242974 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.000 local terms energy: -19.163180 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -4.266 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -2.648 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: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -33.369347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.369347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.369347 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -12.986 Base-Backbone interact. energy: -0.004 local terms energy: -20.379357 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -27.352181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.352181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.352181 (E_RNA) where: Base-Base interactions energy: -2.763 where: short stacking energy: -2.763 Base-Backbone interact. energy: -0.046 local terms energy: -24.543077 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -4.246 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: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -42.128402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.128402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.128402 (E_RNA) where: Base-Base interactions energy: -17.633 where: short stacking energy: -17.633 Base-Backbone interact. energy: -0.012 local terms energy: -24.483803 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -40.838403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.838403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.838403 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.009 local terms energy: -27.654831 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -5.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -40.233999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.233999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.233999 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.000 local terms energy: -25.316544 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -33.220741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.220741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.220741 (E_RNA) where: Base-Base interactions energy: -13.128 where: short stacking energy: -13.128 Base-Backbone interact. energy: -0.038 local terms energy: -20.055049 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.597 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: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -36.074629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.074629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.074629 (E_RNA) where: Base-Base interactions energy: -13.387 where: short stacking energy: -13.387 Base-Backbone interact. energy: -0.012 local terms energy: -22.675587 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.051 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -36.899760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899760 (E_RNA) where: Base-Base interactions energy: -12.901 where: short stacking energy: -12.901 Base-Backbone interact. energy: -0.037 local terms energy: -23.961776 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -33.251761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.251761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.251761 (E_RNA) where: Base-Base interactions energy: -11.030 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.014 local terms energy: -22.207074 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -34.165044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.165044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.165044 (E_RNA) where: Base-Base interactions energy: -11.059 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.000 local terms energy: -23.106100 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -32.042915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.042915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.042915 (E_RNA) where: Base-Base interactions energy: -9.600 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.030 local terms energy: -22.412607 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -29.337127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.337127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.337127 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -8.090 Base-Backbone interact. energy: 0.067 local terms energy: -21.313393 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -41.631232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.631232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.631232 (E_RNA) where: Base-Base interactions energy: -16.995 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.000 local terms energy: -24.636014 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -4.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -38.259673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.259673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.259673 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.002 local terms energy: -23.592639 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -43.875295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.875295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.875295 (E_RNA) where: Base-Base interactions energy: -16.633 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.000 local terms energy: -27.242049 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -41.742370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.742370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.742370 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.388 local terms energy: -26.085209 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.559 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: 5, replica: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -32.005835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.005835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.005835 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.002 local terms energy: -23.178691 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -4.269 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: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -32.871590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.871590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.871590 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -2.296 local terms energy: -20.506147 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.891 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: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -28.874158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.874158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.874158 (E_RNA) where: Base-Base interactions energy: -7.608 where: short stacking energy: -7.608 Base-Backbone interact. energy: -0.012 local terms energy: -21.253811 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -34.597704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.597704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.597704 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.000 local terms energy: -22.181766 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -2.716 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: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -32.589519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.589519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.589519 (E_RNA) where: Base-Base interactions energy: -8.492 where: short stacking energy: -8.492 Base-Backbone interact. energy: -0.000 local terms energy: -24.097633 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.933 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: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -31.345250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.345250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.345250 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.003 local terms energy: -22.318279 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -40.108258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.108258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.108258 (E_RNA) where: Base-Base interactions energy: -14.633 where: short stacking energy: -14.633 Base-Backbone interact. energy: -0.000 local terms energy: -25.475074 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -37.987287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.987287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.987287 (E_RNA) where: Base-Base interactions energy: -9.888 where: short stacking energy: -9.888 Base-Backbone interact. energy: -0.000 local terms energy: -28.099000 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -33.508225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.508225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.508225 (E_RNA) where: Base-Base interactions energy: -13.436 where: short stacking energy: -13.436 Base-Backbone interact. energy: -0.014 local terms energy: -20.057547 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -2.573 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: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -32.645021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.645021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.645021 (E_RNA) where: Base-Base interactions energy: -10.511 where: short stacking energy: -10.511 Base-Backbone interact. energy: -0.001 local terms energy: -22.132705 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -2.960 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: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -36.123558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.123558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.123558 (E_RNA) where: Base-Base interactions energy: -11.005 where: short stacking energy: -11.005 Base-Backbone interact. energy: -0.019 local terms energy: -25.099861 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -34.589363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.589363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.589363 (E_RNA) where: Base-Base interactions energy: -9.443 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.000 local terms energy: -25.146350 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -32.906357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906357 (E_RNA) where: Base-Base interactions energy: -11.980 where: short stacking energy: -11.980 Base-Backbone interact. energy: -0.100 local terms energy: -20.827024 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -3.512 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -37.911265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.911265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.911265 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.000 local terms energy: -23.884541 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -30.388858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.388858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.388858 (E_RNA) where: Base-Base interactions energy: -8.594 where: short stacking energy: -8.594 Base-Backbone interact. energy: -0.010 local terms energy: -21.784869 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.741 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: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -31.414658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.414658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.414658 (E_RNA) where: Base-Base interactions energy: -8.664 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.001 local terms energy: -22.750237 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.215 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: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -38.199860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.199860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.199860 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.058 local terms energy: -24.647522 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -37.803535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803535 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.006 local terms energy: -24.520866 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -38.869728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.869728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.869728 (E_RNA) where: Base-Base interactions energy: -14.209 where: short stacking energy: -14.209 Base-Backbone interact. energy: -0.158 local terms energy: -24.502732 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.667 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: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -35.440556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.440556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.440556 (E_RNA) where: Base-Base interactions energy: -17.888 where: short stacking energy: -17.888 Base-Backbone interact. energy: -0.081 local terms energy: -17.471999 where: bonds (distance) C4'-P energy: -2.152 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -1.303 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -33.300557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.300557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.300557 (E_RNA) where: Base-Base interactions energy: -7.965 where: short stacking energy: -7.965 Base-Backbone interact. energy: -0.001 local terms energy: -25.335404 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -34.479388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.479388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.479388 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -15.277 Base-Backbone interact. energy: -0.017 local terms energy: -19.184738 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: 0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -29.412831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.412831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.412831 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -11.817 Base-Backbone interact. energy: -0.051 local terms energy: -16.317502 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -1.645 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: 0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -32.049671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.049671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.049671 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.000 local terms energy: -20.122279 where: bonds (distance) C4'-P energy: -1.754 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -3.997 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: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -34.482731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.482731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.482731 (E_RNA) where: Base-Base interactions energy: -13.142 where: short stacking energy: -13.142 Base-Backbone interact. energy: -0.001 local terms energy: -21.339682 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -4.360 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: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -31.068027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.068027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.068027 (E_RNA) where: Base-Base interactions energy: -8.654 where: short stacking energy: -8.654 Base-Backbone interact. energy: -0.000 local terms energy: -22.413504 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -35.435937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.435937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.435937 (E_RNA) where: Base-Base interactions energy: -9.684 where: short stacking energy: -9.684 Base-Backbone interact. energy: 0.264 local terms energy: -26.015842 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.425 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: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -39.672756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.672756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.672756 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.081 local terms energy: -26.307426 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -39.517239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.517239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.517239 (E_RNA) where: Base-Base interactions energy: -14.143 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.056 local terms energy: -25.318156 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -36.268702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.268702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.268702 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.007 local terms energy: -24.894809 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -29.844903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.844903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.844903 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -10.354 Base-Backbone interact. energy: -0.088 local terms energy: -19.403230 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -39.192486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.192486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.192486 (E_RNA) where: Base-Base interactions energy: -15.956 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.001 local terms energy: -23.235099 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.587 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: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -30.986088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.986088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.986088 (E_RNA) where: Base-Base interactions energy: -9.333 where: short stacking energy: -9.333 Base-Backbone interact. energy: -0.004 local terms energy: -21.649898 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -30.899390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.899390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.899390 (E_RNA) where: Base-Base interactions energy: -8.537 where: short stacking energy: -8.615 Base-Backbone interact. energy: -0.065 local terms energy: -22.297475 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -2.661 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -29.341342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.341342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.341342 (E_RNA) where: Base-Base interactions energy: -8.600 where: short stacking energy: -8.600 Base-Backbone interact. energy: -0.000 local terms energy: -20.741744 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.566 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: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -28.601667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.601667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.601667 (E_RNA) where: Base-Base interactions energy: -8.185 where: short stacking energy: -8.185 Base-Backbone interact. energy: -0.120 local terms energy: -20.296631 where: bonds (distance) C4'-P energy: -4.156 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -40.221289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.221289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.221289 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.000 local terms energy: -27.222307 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -39.423038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.423038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.423038 (E_RNA) where: Base-Base interactions energy: -13.347 where: short stacking energy: -13.347 Base-Backbone interact. energy: -0.002 local terms energy: -26.074172 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -38.202195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.202195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.202195 (E_RNA) where: Base-Base interactions energy: -14.847 where: short stacking energy: -14.847 Base-Backbone interact. energy: -0.000 local terms energy: -23.355112 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -37.607232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.607232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.607232 (E_RNA) where: Base-Base interactions energy: -13.318 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.001 local terms energy: -24.289059 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -41.768890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.768890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.768890 (E_RNA) where: Base-Base interactions energy: -14.742 where: short stacking energy: -14.742 Base-Backbone interact. energy: -0.000 local terms energy: -27.026916 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -32.252126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.252126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.252126 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.615 Base-Backbone interact. energy: -0.001 local terms energy: -21.636346 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -4.682 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: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -33.309171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.309171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.309171 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.009 local terms energy: -23.718507 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -35.816574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.816574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.816574 (E_RNA) where: Base-Base interactions energy: -16.419 where: short stacking energy: -16.419 Base-Backbone interact. energy: -0.000 local terms energy: -19.397914 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -30.150052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.150052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.150052 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.022 local terms energy: -21.976005 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.311 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: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -33.295665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.295665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.295665 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.001 local terms energy: -22.874191 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.140 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: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -41.198475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.198475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.198475 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.027 local terms energy: -25.928027 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -42.795029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.795029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.795029 (E_RNA) where: Base-Base interactions energy: -16.422 where: short stacking energy: -16.422 Base-Backbone interact. energy: -0.001 local terms energy: -26.371595 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.572 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: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -41.222645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.222645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.222645 (E_RNA) where: Base-Base interactions energy: -14.006 where: short stacking energy: -14.006 Base-Backbone interact. energy: -0.000 local terms energy: -27.216508 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -38.979256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.979256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.979256 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.090 local terms energy: -25.600560 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -4.362 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: 5, replica: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -37.145310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.145310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.145310 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.000 local terms energy: -24.218060 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -36.048638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.048638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.048638 (E_RNA) where: Base-Base interactions energy: -12.614 where: short stacking energy: -12.614 Base-Backbone interact. energy: -0.001 local terms energy: -23.433675 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -2.907 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: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -28.647748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.647748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.647748 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.019 local terms energy: -19.494901 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: 1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -29.722865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722865 (E_RNA) where: Base-Base interactions energy: -10.211 where: short stacking energy: -10.211 Base-Backbone interact. energy: -0.196 local terms energy: -19.315274 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -1.913 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -33.872514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872514 (E_RNA) where: Base-Base interactions energy: -10.133 where: short stacking energy: -10.333 Base-Backbone interact. energy: -0.118 local terms energy: -23.621934 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -29.051336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.051336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.051336 (E_RNA) where: Base-Base interactions energy: -10.577 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.000 local terms energy: -18.474449 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -1.139 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: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -42.188802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.188802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.188802 (E_RNA) where: Base-Base interactions energy: -18.226 where: short stacking energy: -18.226 Base-Backbone interact. energy: -0.000 local terms energy: -23.962926 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.346 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: 421 Temperature: 0.950000 Total energy: -43.705788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.705788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.705788 (E_RNA) where: Base-Base interactions energy: -16.791 where: short stacking energy: -16.791 Base-Backbone interact. energy: -0.001 local terms energy: -26.913980 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -33.533176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.533176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.533176 (E_RNA) where: Base-Base interactions energy: -8.797 where: short stacking energy: -8.797 Base-Backbone interact. energy: -0.092 local terms energy: -24.643738 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -35.214410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.214410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.214410 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: -1.088 local terms energy: -23.408899 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.631 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: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -34.551345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.551345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.551345 (E_RNA) where: Base-Base interactions energy: -13.315 where: short stacking energy: -13.315 Base-Backbone interact. energy: -0.000 local terms energy: -21.236748 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -29.837178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.837178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.837178 (E_RNA) where: Base-Base interactions energy: -11.445 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.000 local terms energy: -18.392333 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -1.679 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: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -27.557653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.557653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.557653 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.000 local terms energy: -19.633719 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -29.003122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.003122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.003122 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: 0.269 local terms energy: -22.798985 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.245 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: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -32.466523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.466523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.466523 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -11.157 Base-Backbone interact. energy: -0.008 local terms energy: -21.302112 where: bonds (distance) C4'-P energy: -3.325 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.060 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: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -28.946649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.946649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.946649 (E_RNA) where: Base-Base interactions energy: -12.005 where: short stacking energy: -12.005 Base-Backbone interact. energy: -0.000 local terms energy: -16.941064 where: bonds (distance) C4'-P energy: -1.117 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -1.748 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -39.589783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.589783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.589783 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -13.254 Base-Backbone interact. energy: -0.004 local terms energy: -26.331825 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -42.620169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.620169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.620169 (E_RNA) where: Base-Base interactions energy: -15.459 where: short stacking energy: -15.459 Base-Backbone interact. energy: -0.000 local terms energy: -27.161523 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.138 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -7.676 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: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -37.884900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.884900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.884900 (E_RNA) where: Base-Base interactions energy: -12.252 where: short stacking energy: -12.252 Base-Backbone interact. energy: -0.009 local terms energy: -25.623394 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -4.354 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: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -35.315935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.315935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.315935 (E_RNA) where: Base-Base interactions energy: -12.639 where: short stacking energy: -12.639 Base-Backbone interact. energy: -0.011 local terms energy: -22.665371 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -3.666 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: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -33.703146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.703146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.703146 (E_RNA) where: Base-Base interactions energy: -12.264 where: short stacking energy: -12.264 Base-Backbone interact. energy: -0.000 local terms energy: -21.439021 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.278 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: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -31.862921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.862921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.862921 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.000 local terms energy: -20.096631 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.385 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: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -36.567034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567034 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.121 local terms energy: -22.493675 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -4.426 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: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -31.538308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.538308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.538308 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -12.658 Base-Backbone interact. energy: -0.083 local terms energy: -18.797139 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -2.434 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: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -32.562373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.562373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.562373 (E_RNA) where: Base-Base interactions energy: -8.544 where: short stacking energy: -8.544 Base-Backbone interact. energy: -0.004 local terms energy: -24.014578 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.871 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: 10, replica: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -29.991336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.991336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.991336 (E_RNA) where: Base-Base interactions energy: -8.926 where: short stacking energy: -8.926 Base-Backbone interact. energy: 1.338 local terms energy: -22.403583 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -37.610877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610877 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.012 local terms energy: -24.008200 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -39.567970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.567970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.567970 (E_RNA) where: Base-Base interactions energy: -14.383 where: short stacking energy: -14.383 Base-Backbone interact. energy: -0.020 local terms energy: -25.164948 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -36.279581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.279581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.279581 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.000 local terms energy: -21.987734 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -35.818871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.818871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.818871 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -12.504 Base-Backbone interact. energy: -0.000 local terms energy: -23.314511 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.192 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: 5, replica: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -33.624067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.624067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.624067 (E_RNA) where: Base-Base interactions energy: -10.896 where: short stacking energy: -10.896 Base-Backbone interact. energy: -0.000 local terms energy: -22.727637 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -4.788 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -3.961 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: 6, replica: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -35.219887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.219887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.219887 (E_RNA) where: Base-Base interactions energy: -10.255 where: short stacking energy: -10.255 Base-Backbone interact. energy: -0.001 local terms energy: -24.963622 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -33.709322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709322 (E_RNA) where: Base-Base interactions energy: -11.364 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.000 local terms energy: -22.345220 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -34.506330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.506330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.506330 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -13.204 Base-Backbone interact. energy: -0.002 local terms energy: -21.300425 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -3.659 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: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -30.560182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.560182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.560182 (E_RNA) where: Base-Base interactions energy: -7.941 where: short stacking energy: -7.941 Base-Backbone interact. energy: -0.009 local terms energy: -22.609249 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.616 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: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -29.972285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.972285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.972285 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.006 local terms energy: -21.427074 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -40.126692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.126692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.126692 (E_RNA) where: Base-Base interactions energy: -13.275 where: short stacking energy: -13.275 Base-Backbone interact. energy: -0.000 local terms energy: -26.851544 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -5.206 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -33.938251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.938251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.938251 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -13.974 Base-Backbone interact. energy: -0.017 local terms energy: -19.946909 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.343 flat angles P-C4'-P energy: -5.363 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: 3, replica: 4 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -40.737628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.737628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.737628 (E_RNA) where: Base-Base interactions energy: -13.676 where: short stacking energy: -13.676 Base-Backbone interact. energy: -0.000 local terms energy: -27.061822 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -41.728666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.728666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.728666 (E_RNA) where: Base-Base interactions energy: -15.516 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.000 local terms energy: -26.213083 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.756 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -32.079742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.079742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.079742 (E_RNA) where: Base-Base interactions energy: -8.160 where: short stacking energy: -8.160 Base-Backbone interact. energy: -0.009 local terms energy: -23.911091 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -4.756 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: 6, replica: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -32.818553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.818553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.818553 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.071 local terms energy: -21.866022 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -34.002690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.002690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.002690 (E_RNA) where: Base-Base interactions energy: -11.221 where: short stacking energy: -11.221 Base-Backbone interact. energy: -0.000 local terms energy: -22.781900 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -4.328 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: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -31.556588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.556588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.556588 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.025 local terms energy: -21.648188 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.078 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: 9, replica: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -35.835424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.835424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.835424 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.002 local terms energy: -24.662782 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -31.149198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.149198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.149198 (E_RNA) where: Base-Base interactions energy: -6.332 where: short stacking energy: -6.332 Base-Backbone interact. energy: -0.000 local terms energy: -24.817310 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -39.842799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.842799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.842799 (E_RNA) where: Base-Base interactions energy: -16.424 where: short stacking energy: -16.424 Base-Backbone interact. energy: -0.004 local terms energy: -23.414985 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -39.475220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.475220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.475220 (E_RNA) where: Base-Base interactions energy: -18.176 where: short stacking energy: -18.176 Base-Backbone interact. energy: -0.012 local terms energy: -21.286859 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -2.976 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -38.645446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.645446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.645446 (E_RNA) where: Base-Base interactions energy: -14.781 where: short stacking energy: -14.781 Base-Backbone interact. energy: -0.002 local terms energy: -23.862477 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -38.189512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.189512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.189512 (E_RNA) where: Base-Base interactions energy: -15.138 where: short stacking energy: -15.138 Base-Backbone interact. energy: -0.000 local terms energy: -23.051418 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -34.124048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.124048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.124048 (E_RNA) where: Base-Base interactions energy: -13.130 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.007 local terms energy: -20.986855 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.615 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: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -38.424915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.424915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.424915 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.000 local terms energy: -25.352190 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.875 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: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -29.377631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.377631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.377631 (E_RNA) where: Base-Base interactions energy: -10.240 where: short stacking energy: -10.240 Base-Backbone interact. energy: -0.021 local terms energy: -19.116659 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.391 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: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -33.277015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.277015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.277015 (E_RNA) where: Base-Base interactions energy: -11.152 where: short stacking energy: -11.152 Base-Backbone interact. energy: -0.108 local terms energy: -22.016842 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.099 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -29.240245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.240245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.240245 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.115 local terms energy: -19.638313 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -2.916 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: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -31.561926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.561926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.561926 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.135 local terms energy: -20.865993 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.945 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: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -42.401473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.401473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.401473 (E_RNA) where: Base-Base interactions energy: -17.940 where: short stacking energy: -17.940 Base-Backbone interact. energy: -0.000 local terms energy: -24.461761 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -42.565350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.565350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.565350 (E_RNA) where: Base-Base interactions energy: -16.485 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.000 local terms energy: -26.080217 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -35.923747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.923747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.923747 (E_RNA) where: Base-Base interactions energy: -11.877 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.910 local terms energy: -23.136626 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -36.548527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.548527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.548527 (E_RNA) where: Base-Base interactions energy: -12.067 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.054 local terms energy: -24.427111 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -32.250529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.250529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.250529 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.000 local terms energy: -24.603848 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -34.590296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.590296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.590296 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.008 local terms energy: -24.171719 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -29.833984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.833984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.833984 (E_RNA) where: Base-Base interactions energy: -7.392 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.000 local terms energy: -22.441772 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -5.070 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: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -30.623610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.623610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.623610 (E_RNA) where: Base-Base interactions energy: -9.380 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.030 local terms energy: -21.213588 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.981 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: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -31.379005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.379005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.379005 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.083 local terms energy: -23.421009 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.105 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: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -24.826532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.826532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.826532 (E_RNA) where: Base-Base interactions energy: -7.738 where: short stacking energy: -7.738 Base-Backbone interact. energy: -0.110 local terms energy: -16.977875 where: bonds (distance) C4'-P energy: -0.960 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -5.141 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: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -42.850492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.850492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.850492 (E_RNA) where: Base-Base interactions energy: -17.175 where: short stacking energy: -17.175 Base-Backbone interact. energy: -0.000 local terms energy: -25.675622 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -5.513 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: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -40.082681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.082681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.082681 (E_RNA) where: Base-Base interactions energy: -15.060 where: short stacking energy: -14.310 Base-Backbone interact. energy: -0.036 local terms energy: -24.987189 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.290 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: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -37.571923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.571923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.571923 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.000 local terms energy: -24.913075 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -35.190262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.190262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.190262 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.015 local terms energy: -22.545289 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -35.391979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.391979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.391979 (E_RNA) where: Base-Base interactions energy: -12.903 where: short stacking energy: -12.903 Base-Backbone interact. energy: -0.351 local terms energy: -22.137052 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -32.989958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.989958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.989958 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -12.828 Base-Backbone interact. energy: -0.076 local terms energy: -20.085662 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -34.507405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.507405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.507405 (E_RNA) where: Base-Base interactions energy: -11.100 where: short stacking energy: -11.100 Base-Backbone interact. energy: -0.000 local terms energy: -23.407521 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -32.070582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.070582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.070582 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -10.558 Base-Backbone interact. energy: -0.000 local terms energy: -21.511907 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -5.279 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: 9, replica: 6 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -35.566232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.566232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.566232 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: -0.006 local terms energy: -24.775712 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -27.726202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.726202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.726202 (E_RNA) where: Base-Base interactions energy: -7.157 where: short stacking energy: -7.157 Base-Backbone interact. energy: -0.001 local terms energy: -20.568417 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -44.874922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.874922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.874922 (E_RNA) where: Base-Base interactions energy: -16.534 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.000 local terms energy: -28.341110 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -37.728946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728946 (E_RNA) where: Base-Base interactions energy: -16.352 where: short stacking energy: -16.352 Base-Backbone interact. energy: -0.001 local terms energy: -21.375646 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -37.312779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.312779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.312779 (E_RNA) where: Base-Base interactions energy: -13.704 where: short stacking energy: -13.704 Base-Backbone interact. energy: 0.052 local terms energy: -23.660369 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.531 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: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -37.678583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.678583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.678583 (E_RNA) where: Base-Base interactions energy: -16.446 where: short stacking energy: -16.571 Base-Backbone interact. energy: -0.791 local terms energy: -20.441649 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -2.085 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -32.982353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.982353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.982353 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.000 local terms energy: -22.984077 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -4.456 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: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -35.806150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.806150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.806150 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.023 local terms energy: -24.592552 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -31.644071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644071 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.070 local terms energy: -20.552722 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -34.079715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.079715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.079715 (E_RNA) where: Base-Base interactions energy: -15.140 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.001 local terms energy: -18.939306 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: 0.573 tors. eta vs tors. theta energy: -4.178 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: 428 Temperature: 1.300000 Total energy: -33.184559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.184559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.184559 (E_RNA) where: Base-Base interactions energy: -11.399 where: short stacking energy: -11.399 Base-Backbone interact. energy: -0.054 local terms energy: -21.731013 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.579 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: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -28.297655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.297655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.297655 (E_RNA) where: Base-Base interactions energy: -8.034 where: short stacking energy: -8.034 Base-Backbone interact. energy: -0.051 local terms energy: -20.212108 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -3.531 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: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -36.277190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.277190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.277190 (E_RNA) where: Base-Base interactions energy: -16.043 where: short stacking energy: -16.043 Base-Backbone interact. energy: -0.001 local terms energy: -20.233475 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.993 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: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -38.508253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.508253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.508253 (E_RNA) where: Base-Base interactions energy: -12.788 where: short stacking energy: -12.788 Base-Backbone interact. energy: -0.099 local terms energy: -25.621658 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.417 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: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -31.539461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.539461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.539461 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -8.517 Base-Backbone interact. energy: -0.163 local terms energy: -17.909701 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.933 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: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -29.882558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.882558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.882558 (E_RNA) where: Base-Base interactions energy: -7.345 where: short stacking energy: -7.345 Base-Backbone interact. energy: -0.036 local terms energy: -22.501362 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.275 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: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -32.221471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.221471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.221471 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.002 local terms energy: -23.393123 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.080 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: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -36.805322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.805322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.805322 (E_RNA) where: Base-Base interactions energy: -13.180 where: short stacking energy: -13.180 Base-Backbone interact. energy: -0.115 local terms energy: -23.510511 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -3.780 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: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -34.132329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.132329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.132329 (E_RNA) where: Base-Base interactions energy: -13.193 where: short stacking energy: -13.193 Base-Backbone interact. energy: -0.041 local terms energy: -20.897793 where: bonds (distance) C4'-P energy: -3.845 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -5.070 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: 429 Temperature: 1.250000 Total energy: -32.180531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180531 (E_RNA) where: Base-Base interactions energy: -9.526 where: short stacking energy: -9.526 Base-Backbone interact. energy: -0.005 local terms energy: -22.649319 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -27.394500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.394500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.394500 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.068 local terms energy: -20.299603 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.601 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: 10, replica: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -33.177139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.177139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.177139 (E_RNA) where: Base-Base interactions energy: -12.449 where: short stacking energy: -12.449 Base-Backbone interact. energy: -1.027 local terms energy: -19.700638 where: bonds (distance) C4'-P energy: 0.025 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -41.682622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.682622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.682622 (E_RNA) where: Base-Base interactions energy: -15.429 where: short stacking energy: -15.429 Base-Backbone interact. energy: 0.052 local terms energy: -26.305484 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -39.012783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.012783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.012783 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.098 local terms energy: -25.801851 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -35.684306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.684306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.684306 (E_RNA) where: Base-Base interactions energy: -14.009 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.000 local terms energy: -21.675460 where: bonds (distance) C4'-P energy: -4.045 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.550 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: 4, replica: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -34.032807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.032807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.032807 (E_RNA) where: Base-Base interactions energy: -11.729 where: short stacking energy: -11.729 Base-Backbone interact. energy: -0.000 local terms energy: -22.304288 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -1.958 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -33.038957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038957 (E_RNA) where: Base-Base interactions energy: -10.187 where: short stacking energy: -10.187 Base-Backbone interact. energy: -0.014 local terms energy: -22.837247 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -30.564937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.564937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.564937 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.071 local terms energy: -16.340679 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -3.846 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -1.774 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: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -31.042460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.042460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.042460 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.001 local terms energy: -22.539199 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -29.834447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.834447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.834447 (E_RNA) where: Base-Base interactions energy: -9.637 where: short stacking energy: -9.637 Base-Backbone interact. energy: -0.178 local terms energy: -20.018803 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.836 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: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -27.476132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.476132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.476132 (E_RNA) where: Base-Base interactions energy: -4.353 where: short stacking energy: -4.353 Base-Backbone interact. energy: -0.000 local terms energy: -23.122832 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -4.863 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: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -29.436891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.436891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.436891 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.009 local terms energy: -18.761813 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -2.733 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -37.810580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.810580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.810580 (E_RNA) where: Base-Base interactions energy: -12.850 where: short stacking energy: -12.850 Base-Backbone interact. energy: -0.000 local terms energy: -24.960297 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -39.731711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.731711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.731711 (E_RNA) where: Base-Base interactions energy: -12.536 where: short stacking energy: -12.536 Base-Backbone interact. energy: -0.000 local terms energy: -27.196000 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -5.116 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: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -33.236639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.236639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.236639 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.852 Base-Backbone interact. energy: -0.003 local terms energy: -20.381699 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -4.043 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -37.740032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.740032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.740032 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.087 local terms energy: -23.813437 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -32.156956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.156956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.156956 (E_RNA) where: Base-Base interactions energy: -13.786 where: short stacking energy: -13.786 Base-Backbone interact. energy: -0.066 local terms energy: -18.304660 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.435 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: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -34.873569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873569 (E_RNA) where: Base-Base interactions energy: -13.257 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.000 local terms energy: -21.616832 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -32.257338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.257338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.257338 (E_RNA) where: Base-Base interactions energy: -9.622 where: short stacking energy: -9.622 Base-Backbone interact. energy: -0.082 local terms energy: -22.552650 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.691 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: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -34.369915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.369915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.369915 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.001 local terms energy: -22.960964 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -26.978905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.978905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.978905 (E_RNA) where: Base-Base interactions energy: -11.926 where: short stacking energy: -11.926 Base-Backbone interact. energy: -0.000 local terms energy: -15.052945 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -2.558 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -2.715 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: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -28.100772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.100772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.100772 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.023 local terms energy: -18.965702 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.757 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: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -38.840198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.840198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.840198 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.001 local terms energy: -24.683392 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -40.682712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.682712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.682712 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.087 local terms energy: -26.777407 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -34.751469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.751469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.751469 (E_RNA) where: Base-Base interactions energy: -14.276 where: short stacking energy: -14.276 Base-Backbone interact. energy: -0.060 local terms energy: -20.415175 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.460 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: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -37.276300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.276300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.276300 (E_RNA) where: Base-Base interactions energy: -13.633 where: short stacking energy: -13.633 Base-Backbone interact. energy: -0.005 local terms energy: -23.638049 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -35.174695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.174695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.174695 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -11.353 Base-Backbone interact. energy: -0.000 local terms energy: -23.821430 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -2.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -29.216696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.216696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.216696 (E_RNA) where: Base-Base interactions energy: -13.802 where: short stacking energy: -13.802 Base-Backbone interact. energy: -0.101 local terms energy: -15.313713 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -1.193 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -33.230654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230654 (E_RNA) where: Base-Base interactions energy: -8.874 where: short stacking energy: -8.874 Base-Backbone interact. energy: -0.078 local terms energy: -24.279154 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -35.062701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062701 (E_RNA) where: Base-Base interactions energy: -15.483 where: short stacking energy: -15.483 Base-Backbone interact. energy: -0.000 local terms energy: -19.579172 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -0.667 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -27.810204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.810204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.810204 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: 0.092 local terms energy: -20.154451 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -5.101 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: 5 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -29.780689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.780689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.780689 (E_RNA) where: Base-Base interactions energy: -9.331 where: short stacking energy: -9.331 Base-Backbone interact. energy: -0.017 local terms energy: -20.432649 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -45.277842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.277842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.277842 (E_RNA) where: Base-Base interactions energy: -17.367 where: short stacking energy: -17.367 Base-Backbone interact. energy: -0.004 local terms energy: -27.906535 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -39.007016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.007016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.007016 (E_RNA) where: Base-Base interactions energy: -15.663 where: short stacking energy: -15.663 Base-Backbone interact. energy: -0.000 local terms energy: -23.343955 where: bonds (distance) C4'-P energy: -4.407 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -34.182379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.182379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.182379 (E_RNA) where: Base-Base interactions energy: -12.306 where: short stacking energy: -12.390 Base-Backbone interact. energy: 1.519 local terms energy: -23.395867 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -38.967762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.967762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.967762 (E_RNA) where: Base-Base interactions energy: -14.676 where: short stacking energy: -14.676 Base-Backbone interact. energy: -0.010 local terms energy: -24.282111 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -34.923039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.923039 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -22.973944 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.129 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: 6, replica: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -30.773863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.773863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.773863 (E_RNA) where: Base-Base interactions energy: -11.714 where: short stacking energy: -11.714 Base-Backbone interact. energy: 0.048 local terms energy: -19.108189 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.637 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: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -29.895477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895477 (E_RNA) where: Base-Base interactions energy: -8.723 where: short stacking energy: -8.723 Base-Backbone interact. energy: -0.000 local terms energy: -21.172270 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.143 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: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -33.006918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.006918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.006918 (E_RNA) where: Base-Base interactions energy: -12.945 where: short stacking energy: -12.945 Base-Backbone interact. energy: -0.022 local terms energy: -20.039735 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -1.776 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: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -31.039759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.039759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.039759 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.703 Base-Backbone interact. energy: -0.000 local terms energy: -20.336436 where: bonds (distance) C4'-P energy: -4.317 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.235 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: 433 Temperature: 1.350000 Total energy: -28.305338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.305338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.305338 (E_RNA) where: Base-Base interactions energy: -12.328 where: short stacking energy: -12.328 Base-Backbone interact. energy: -0.005 local terms energy: -15.972750 where: bonds (distance) C4'-P energy: -2.391 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -1.637 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: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -42.512364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.512364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.512364 (E_RNA) where: Base-Base interactions energy: -16.524 where: short stacking energy: -16.524 Base-Backbone interact. energy: -0.000 local terms energy: -25.987613 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -40.887425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.887425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.887425 (E_RNA) where: Base-Base interactions energy: -15.753 where: short stacking energy: -15.753 Base-Backbone interact. energy: -0.001 local terms energy: -25.134181 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -33.107152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.107152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.107152 (E_RNA) where: Base-Base interactions energy: -9.282 where: short stacking energy: -9.282 Base-Backbone interact. energy: -0.091 local terms energy: -23.734610 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -32.438317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.438317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.438317 (E_RNA) where: Base-Base interactions energy: -8.300 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.320 local terms energy: -23.817737 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -37.762203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.762203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.762203 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.000 local terms energy: -26.090310 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -30.986444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.986444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.986444 (E_RNA) where: Base-Base interactions energy: -11.324 where: short stacking energy: -10.399 Base-Backbone interact. energy: -0.024 local terms energy: -19.638589 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -2.882 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: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -29.179311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.179311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.179311 (E_RNA) where: Base-Base interactions energy: -9.452 where: short stacking energy: -9.452 Base-Backbone interact. energy: -0.295 local terms energy: -19.432959 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.918 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -3.039 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: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -33.913303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.913303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.913303 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.006 local terms energy: -22.053220 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -30.913482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.913482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.913482 (E_RNA) where: Base-Base interactions energy: -12.358 where: short stacking energy: -10.629 Base-Backbone interact. energy: -0.032 local terms energy: -18.523491 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -2.853 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: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -33.824660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.824660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.824660 (E_RNA) where: Base-Base interactions energy: -13.711 where: short stacking energy: -13.711 Base-Backbone interact. energy: -0.000 local terms energy: -20.113758 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.929 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: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -44.506763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.506763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.506763 (E_RNA) where: Base-Base interactions energy: -17.910 where: short stacking energy: -17.910 Base-Backbone interact. energy: -0.000 local terms energy: -26.596799 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -3.135 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: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -34.415728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.415728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.415728 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.015 local terms energy: -20.666745 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -40.162717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.162717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.162717 (E_RNA) where: Base-Base interactions energy: -13.961 where: short stacking energy: -13.961 Base-Backbone interact. energy: -0.000 local terms energy: -26.201825 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -40.182799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.182799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.182799 (E_RNA) where: Base-Base interactions energy: -16.636 where: short stacking energy: -16.636 Base-Backbone interact. energy: -0.000 local terms energy: -23.546403 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -37.514768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.514768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.514768 (E_RNA) where: Base-Base interactions energy: -13.586 where: short stacking energy: -13.586 Base-Backbone interact. energy: -0.083 local terms energy: -23.845290 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -38.870483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.870483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.870483 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.000 local terms energy: -25.869896 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.817 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: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -32.720415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.720415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.720415 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.022 local terms energy: -19.894246 where: bonds (distance) C4'-P energy: -4.468 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -2.454 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: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -34.909211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.909211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.909211 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.000 local terms energy: -21.822972 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -3.525 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: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -29.787199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.787199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.787199 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.002 local terms energy: -20.567230 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -1.532 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: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -31.047658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.047658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.047658 (E_RNA) where: Base-Base interactions energy: -12.867 where: short stacking energy: -12.867 Base-Backbone interact. energy: -0.078 local terms energy: -18.103429 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.414 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: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -39.083368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.083368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.083368 (E_RNA) where: Base-Base interactions energy: -15.452 where: short stacking energy: -15.452 Base-Backbone interact. energy: -0.000 local terms energy: -23.630977 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.821 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: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -35.395470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.395470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.395470 (E_RNA) where: Base-Base interactions energy: -15.140 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.000 local terms energy: -20.255550 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -1.481 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -38.342815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.342815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.342815 (E_RNA) where: Base-Base interactions energy: -14.700 where: short stacking energy: -14.700 Base-Backbone interact. energy: -0.005 local terms energy: -23.637357 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.888 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: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -35.045709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.045709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.045709 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.008 local terms energy: -21.259570 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.187 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -36.225503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.225503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.225503 (E_RNA) where: Base-Base interactions energy: -9.457 where: short stacking energy: -9.457 Base-Backbone interact. energy: -0.095 local terms energy: -26.673395 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -34.056454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056454 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.003 local terms energy: -20.006147 where: bonds (distance) C4'-P energy: -0.993 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -37.704191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.704191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.704191 (E_RNA) where: Base-Base interactions energy: -13.769 where: short stacking energy: -13.769 Base-Backbone interact. energy: -0.003 local terms energy: -23.931892 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -32.981491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.981491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.981491 (E_RNA) where: Base-Base interactions energy: -11.439 where: short stacking energy: -11.439 Base-Backbone interact. energy: 0.254 local terms energy: -21.796487 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.469 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -5.823 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: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -29.920120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.920120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.920120 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.003 local terms energy: -17.378688 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -2.315 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: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -29.556741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.556741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.556741 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.010 local terms energy: -22.516336 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -41.236924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.236924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.236924 (E_RNA) where: Base-Base interactions energy: -16.003 where: short stacking energy: -16.003 Base-Backbone interact. energy: -0.005 local terms energy: -25.228940 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -4.837 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: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -44.717990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.717990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.717990 (E_RNA) where: Base-Base interactions energy: -16.875 where: short stacking energy: -16.875 Base-Backbone interact. energy: -0.000 local terms energy: -27.842489 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -37.724933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.724933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.724933 (E_RNA) where: Base-Base interactions energy: -14.410 where: short stacking energy: -14.410 Base-Backbone interact. energy: -0.005 local terms energy: -23.310124 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.303 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: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -39.050325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.050325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.050325 (E_RNA) where: Base-Base interactions energy: -14.098 where: short stacking energy: -14.098 Base-Backbone interact. energy: -0.000 local terms energy: -24.952062 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -35.590779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.590779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.590779 (E_RNA) where: Base-Base interactions energy: -13.007 where: short stacking energy: -13.007 Base-Backbone interact. energy: -0.052 local terms energy: -22.531890 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -34.848493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.848493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.848493 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -12.169 Base-Backbone interact. energy: -0.728 local terms energy: -23.508181 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -27.455118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.455118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.455118 (E_RNA) where: Base-Base interactions energy: -11.341 where: short stacking energy: -11.341 Base-Backbone interact. energy: -0.000 local terms energy: -16.114562 where: bonds (distance) C4'-P energy: -1.568 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -0.050 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: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -32.082629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.082629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.082629 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.000 local terms energy: -23.353657 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -30.413920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.413920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.413920 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.787 Base-Backbone interact. energy: -0.098 local terms energy: -22.228461 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -31.252291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.252291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.252291 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.001 local terms energy: -20.237603 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -2.441 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: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -40.883438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.883438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.883438 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.000 local terms energy: -24.677935 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -3.851 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: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -40.011367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.011367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.011367 (E_RNA) where: Base-Base interactions energy: -16.607 where: short stacking energy: -16.607 Base-Backbone interact. energy: -0.000 local terms energy: -23.403934 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -3.451 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: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -34.156759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.156759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.156759 (E_RNA) where: Base-Base interactions energy: -11.023 where: short stacking energy: -11.023 Base-Backbone interact. energy: -0.043 local terms energy: -23.091427 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -4.897 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: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -34.073594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.073594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.073594 (E_RNA) where: Base-Base interactions energy: -10.029 where: short stacking energy: -10.029 Base-Backbone interact. energy: -0.003 local terms energy: -24.042031 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -33.950062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.950062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.950062 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.385 local terms energy: -22.173776 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.051 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -33.800835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.800835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.800835 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.002 local terms energy: -21.030890 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -30.615385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.615385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.615385 (E_RNA) where: Base-Base interactions energy: -9.769 where: short stacking energy: -9.769 Base-Backbone interact. energy: -0.000 local terms energy: -20.846383 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.005 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: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -31.483550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.483550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.483550 (E_RNA) where: Base-Base interactions energy: -8.531 where: short stacking energy: -8.531 Base-Backbone interact. energy: -0.096 local terms energy: -22.856447 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -32.989410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.989410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.989410 (E_RNA) where: Base-Base interactions energy: -13.802 where: short stacking energy: -13.802 Base-Backbone interact. energy: -0.047 local terms energy: -19.140813 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -3.221 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -4.614 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: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -25.409000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.409000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.409000 (E_RNA) where: Base-Base interactions energy: -9.357 where: short stacking energy: -9.357 Base-Backbone interact. energy: 0.452 local terms energy: -16.504289 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: 1.024 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -42.343924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.343924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.343924 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.000 local terms energy: -23.990784 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -4.868 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -36.658858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.658858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.658858 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.000 local terms energy: -22.062810 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -37.099097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.099097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.099097 (E_RNA) where: Base-Base interactions energy: -14.893 where: short stacking energy: -14.893 Base-Backbone interact. energy: -0.003 local terms energy: -22.202905 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -34.507655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.507655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.507655 (E_RNA) where: Base-Base interactions energy: -15.857 where: short stacking energy: -14.871 Base-Backbone interact. energy: -0.000 local terms energy: -18.650269 where: bonds (distance) C4'-P energy: -3.067 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -1.731 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -35.194470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.194470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.194470 (E_RNA) where: Base-Base interactions energy: -10.415 where: short stacking energy: -10.415 Base-Backbone interact. energy: -0.000 local terms energy: -24.779757 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -37.518450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518450 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.000 local terms energy: -25.764351 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -32.172114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.172114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.172114 (E_RNA) where: Base-Base interactions energy: -10.229 where: short stacking energy: -10.229 Base-Backbone interact. energy: -0.000 local terms energy: -21.942962 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -2.842 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -30.235779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.235779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.235779 (E_RNA) where: Base-Base interactions energy: -10.250 where: short stacking energy: -10.250 Base-Backbone interact. energy: -0.085 local terms energy: -19.901092 where: bonds (distance) C4'-P energy: -3.092 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -3.740 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: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -33.931367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931367 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.000 local terms energy: -20.937547 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -32.749827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.749827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.749827 (E_RNA) where: Base-Base interactions energy: -14.161 where: short stacking energy: -14.161 Base-Backbone interact. energy: -0.099 local terms energy: -18.490019 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -2.953 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -39.098612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.098612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.098612 (E_RNA) where: Base-Base interactions energy: -14.369 where: short stacking energy: -14.369 Base-Backbone interact. energy: -0.034 local terms energy: -24.694893 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.085 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: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -43.434678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.434678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.434678 (E_RNA) where: Base-Base interactions energy: -16.412 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.000 local terms energy: -27.022479 where: bonds (distance) C4'-P energy: -3.554 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -36.389175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.389175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.389175 (E_RNA) where: Base-Base interactions energy: -16.683 where: short stacking energy: -16.683 Base-Backbone interact. energy: -0.002 local terms energy: -19.703998 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -1.327 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -39.942166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.942166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.942166 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.022 local terms energy: -28.423244 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -4.870 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: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -36.118769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.118769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.118769 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.000 local terms energy: -26.569410 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -32.768258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.768258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.768258 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.001 local terms energy: -20.138787 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -33.154083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.154083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.154083 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.003 local terms energy: -24.006776 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -31.249233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.249233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.249233 (E_RNA) where: Base-Base interactions energy: -8.199 where: short stacking energy: -8.199 Base-Backbone interact. energy: -0.000 local terms energy: -23.050137 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -27.437293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.437293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.437293 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: 0.074 local terms energy: -17.044447 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -2.343 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.799 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: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -40.746610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746610 (E_RNA) where: Base-Base interactions energy: -14.766 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.008 local terms energy: -25.972629 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -36.864165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.864165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.864165 (E_RNA) where: Base-Base interactions energy: -12.601 where: short stacking energy: -12.601 Base-Backbone interact. energy: -0.021 local terms energy: -24.241677 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -40.348497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.348497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.348497 (E_RNA) where: Base-Base interactions energy: -16.425 where: short stacking energy: -16.425 Base-Backbone interact. energy: -0.033 local terms energy: -23.890000 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -38.217818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.217818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.217818 (E_RNA) where: Base-Base interactions energy: -14.732 where: short stacking energy: -14.732 Base-Backbone interact. energy: -0.000 local terms energy: -23.486065 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -36.835555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.835555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.835555 (E_RNA) where: Base-Base interactions energy: -12.432 where: short stacking energy: -12.432 Base-Backbone interact. energy: -0.099 local terms energy: -24.303922 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -35.704454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.704454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.704454 (E_RNA) where: Base-Base interactions energy: -14.456 where: short stacking energy: -14.899 Base-Backbone interact. energy: -0.013 local terms energy: -21.235406 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -4.643 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: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -34.257977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.257977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.257977 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.077 local terms energy: -21.486957 where: bonds (distance) C4'-P energy: -2.471 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -30.974059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.974059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.974059 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.001 local terms energy: -19.659903 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -34.781329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.781329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.781329 (E_RNA) where: Base-Base interactions energy: -9.963 where: short stacking energy: -10.099 Base-Backbone interact. energy: -0.013 local terms energy: -24.805583 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.828 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: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -30.619884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.619884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.619884 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.012 local terms energy: -22.961621 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -34.916525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916525 (E_RNA) where: Base-Base interactions energy: -11.212 where: short stacking energy: -11.212 Base-Backbone interact. energy: 0.241 local terms energy: -23.945520 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -39.907006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.907006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.907006 (E_RNA) where: Base-Base interactions energy: -16.608 where: short stacking energy: -16.608 Base-Backbone interact. energy: -0.684 local terms energy: -22.615274 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -39.674111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.674111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.674111 (E_RNA) where: Base-Base interactions energy: -15.470 where: short stacking energy: -15.470 Base-Backbone interact. energy: -0.000 local terms energy: -24.203751 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -38.541421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.541421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.541421 (E_RNA) where: Base-Base interactions energy: -13.488 where: short stacking energy: -13.488 Base-Backbone interact. energy: -0.015 local terms energy: -25.037890 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -38.618920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.618920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.618920 (E_RNA) where: Base-Base interactions energy: -14.005 where: short stacking energy: -14.005 Base-Backbone interact. energy: -0.265 local terms energy: -24.349336 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -31.569666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.569666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.569666 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.056 local terms energy: -22.065031 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -37.521059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.521059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.521059 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.061 local terms energy: -23.474529 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.973 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: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -33.130972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.130972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.130972 (E_RNA) where: Base-Base interactions energy: -12.668 where: short stacking energy: -12.668 Base-Backbone interact. energy: -0.007 local terms energy: -20.455320 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -4.039 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -3.964 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: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -29.081945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.081945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.081945 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.380 local terms energy: -20.557157 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -31.077968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077968 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -11.458 Base-Backbone interact. energy: -0.000 local terms energy: -19.619536 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -1.838 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -27.152570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.152570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.152570 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.026 local terms energy: -18.013992 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -1.590 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: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -40.432932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.432932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.432932 (E_RNA) where: Base-Base interactions energy: -16.906 where: short stacking energy: -16.906 Base-Backbone interact. energy: -0.000 local terms energy: -23.526455 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -4.144 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: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -41.694023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.694023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.694023 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.000 local terms energy: -27.652375 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -37.576505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.576505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.576505 (E_RNA) where: Base-Base interactions energy: -14.141 where: short stacking energy: -14.141 Base-Backbone interact. energy: -0.000 local terms energy: -23.435223 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -35.735452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.735452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.735452 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.001 local terms energy: -22.328325 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -32.145966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.145966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.145966 (E_RNA) where: Base-Base interactions energy: -8.723 where: short stacking energy: -8.723 Base-Backbone interact. energy: -0.000 local terms energy: -23.422245 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -29.898314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.898314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.898314 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.096 local terms energy: -22.084419 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -31.094501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.094501 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.004 local terms energy: -21.806214 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -33.191527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.191527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.191527 (E_RNA) where: Base-Base interactions energy: -11.934 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.005 local terms energy: -21.252195 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -4.061 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -27.156153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.156153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.156153 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -8.843 Base-Backbone interact. energy: -0.000 local terms energy: -18.312792 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -31.083343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.083343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.083343 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.000 local terms energy: -21.802734 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -38.214725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.214725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.214725 (E_RNA) where: Base-Base interactions energy: -13.362 where: short stacking energy: -13.362 Base-Backbone interact. energy: -0.018 local terms energy: -24.835103 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -37.256932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.256932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.256932 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.008 local terms energy: -24.248478 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -40.045266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.045266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.045266 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.007 local terms energy: -26.345058 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -4.170 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: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -39.767087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.767087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.767087 (E_RNA) where: Base-Base interactions energy: -16.293 where: short stacking energy: -16.293 Base-Backbone interact. energy: -0.001 local terms energy: -23.473573 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.215 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: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -33.734584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734584 (E_RNA) where: Base-Base interactions energy: -11.655 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.079 local terms energy: -22.000514 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.790 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: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -37.328347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.328347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.328347 (E_RNA) where: Base-Base interactions energy: -12.893 where: short stacking energy: -12.893 Base-Backbone interact. energy: -0.000 local terms energy: -24.435295 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -33.755553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755553 (E_RNA) where: Base-Base interactions energy: -11.744 where: short stacking energy: -11.744 Base-Backbone interact. energy: -0.208 local terms energy: -21.804303 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -30.811795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.811795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.811795 (E_RNA) where: Base-Base interactions energy: -9.076 where: short stacking energy: -9.076 Base-Backbone interact. energy: 0.367 local terms energy: -22.102787 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.779 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: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -35.215661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.215661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.215661 (E_RNA) where: Base-Base interactions energy: -13.413 where: short stacking energy: -13.413 Base-Backbone interact. energy: -0.000 local terms energy: -21.802475 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.826 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -29.830609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830609 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.002 local terms energy: -20.960405 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -44.786239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.786239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.786239 (E_RNA) where: Base-Base interactions energy: -18.000 where: short stacking energy: -18.000 Base-Backbone interact. energy: -0.000 local terms energy: -26.785764 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -41.711290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.711290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.711290 (E_RNA) where: Base-Base interactions energy: -15.170 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.000 local terms energy: -26.541246 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -36.098555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.098555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.098555 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -12.190 Base-Backbone interact. energy: -0.000 local terms energy: -23.908034 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.265 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: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -34.358421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.358421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.358421 (E_RNA) where: Base-Base interactions energy: -11.425 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.003 local terms energy: -22.930316 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -3.238 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: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -39.434701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.434701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.434701 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.000 local terms energy: -25.914691 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -36.187144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.187144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.187144 (E_RNA) where: Base-Base interactions energy: -12.486 where: short stacking energy: -12.486 Base-Backbone interact. energy: -0.042 local terms energy: -23.659105 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -32.200053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.200053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.200053 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.000 local terms energy: -21.401902 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.326 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: 445 Temperature: 1.250000 Total energy: -33.346744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346744 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.000 local terms energy: -19.830122 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -27.439182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.439182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.439182 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.229 local terms energy: -19.728651 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -5.004 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: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -28.179717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.179717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.179717 (E_RNA) where: Base-Base interactions energy: -9.360 where: short stacking energy: -9.360 Base-Backbone interact. energy: 0.366 local terms energy: -19.185449 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -2.191 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -38.925768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.925768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.925768 (E_RNA) where: Base-Base interactions energy: -13.601 where: short stacking energy: -13.601 Base-Backbone interact. energy: -0.003 local terms energy: -25.322197 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -38.939961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.939961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.939961 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.093 local terms energy: -26.021821 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -34.422732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422732 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.000 local terms energy: -21.596331 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -1.888 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -35.179495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.179495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.179495 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.000 local terms energy: -22.549389 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.942 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: 5, replica: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -35.719388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.719388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.719388 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.026 local terms energy: -25.112953 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -28.577283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.577283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.577283 (E_RNA) where: Base-Base interactions energy: -9.835 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.001 local terms energy: -18.741588 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -1.108 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: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -33.177958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.177958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.177958 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.001 local terms energy: -21.741134 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -26.714028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.714028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.714028 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -9.659 Base-Backbone interact. energy: -0.004 local terms energy: -17.050966 where: bonds (distance) C4'-P energy: -3.187 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -0.983 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: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -29.651138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.651138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.651138 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -10.535 Base-Backbone interact. energy: -0.015 local terms energy: -19.101592 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -28.135113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.135113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.135113 (E_RNA) where: Base-Base interactions energy: -7.774 where: short stacking energy: -7.774 Base-Backbone interact. energy: -0.015 local terms energy: -20.346155 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -3.960 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -5.589 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: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -37.635332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.635332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.635332 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -13.392 Base-Backbone interact. energy: -0.020 local terms energy: -25.123480 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -39.929673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.929673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.929673 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.081 local terms energy: -26.134221 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -36.403575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.403575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.403575 (E_RNA) where: Base-Base interactions energy: -12.156 where: short stacking energy: -12.156 Base-Backbone interact. energy: -0.008 local terms energy: -24.239447 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -3.839 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: 4, replica: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -36.683423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.683423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.683423 (E_RNA) where: Base-Base interactions energy: -11.552 where: short stacking energy: -11.552 Base-Backbone interact. energy: -0.067 local terms energy: -25.064480 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -36.524089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.524089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.524089 (E_RNA) where: Base-Base interactions energy: -10.399 where: short stacking energy: -10.399 Base-Backbone interact. energy: -0.012 local terms energy: -26.112965 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -32.081007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.081007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.081007 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.081 local terms energy: -18.482554 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -0.132 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: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -30.522513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.522513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.522513 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: 0.525 local terms energy: -22.322066 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -4.229 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: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -34.905356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.905356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.905356 (E_RNA) where: Base-Base interactions energy: -13.742 where: short stacking energy: -13.742 Base-Backbone interact. energy: -0.000 local terms energy: -21.162648 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -2.924 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: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -30.877283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.877283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.877283 (E_RNA) where: Base-Base interactions energy: -9.111 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.078 local terms energy: -21.687548 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.688 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: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -29.978033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.978033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.978033 (E_RNA) where: Base-Base interactions energy: -8.615 where: short stacking energy: -8.615 Base-Backbone interact. energy: -0.000 local terms energy: -21.362555 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -1.061 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -36.511452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.511452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.511452 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.056 local terms energy: -23.997176 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.780 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: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -38.926842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.926842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.926842 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.091 local terms energy: -26.187854 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -38.886783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.886783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.886783 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -12.184 Base-Backbone interact. energy: -0.000 local terms energy: -26.703117 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -38.400483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400483 (E_RNA) where: Base-Base interactions energy: -15.009 where: short stacking energy: -15.009 Base-Backbone interact. energy: -0.004 local terms energy: -23.387661 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -32.760666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760666 (E_RNA) where: Base-Base interactions energy: -12.844 where: short stacking energy: -12.039 Base-Backbone interact. energy: -0.007 local terms energy: -19.909713 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -0.328 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -32.384659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.384659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.384659 (E_RNA) where: Base-Base interactions energy: -9.417 where: short stacking energy: -9.717 Base-Backbone interact. energy: -0.851 local terms energy: -22.116110 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -34.086035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.086035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.086035 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.034 local terms energy: -22.123705 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.396 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -30.571237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.571237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.571237 (E_RNA) where: Base-Base interactions energy: -13.421 where: short stacking energy: -13.421 Base-Backbone interact. energy: -0.097 local terms energy: -17.052675 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -30.868841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.868841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.868841 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.005 local terms energy: -19.648398 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -27.444148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.444148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.444148 (E_RNA) where: Base-Base interactions energy: -9.620 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.001 local terms energy: -17.823159 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -3.519 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.318 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: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -38.787066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.787066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.787066 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.000 local terms energy: -24.996207 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -41.587370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.587370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.587370 (E_RNA) where: Base-Base interactions energy: -13.953 where: short stacking energy: -13.953 Base-Backbone interact. energy: -0.000 local terms energy: -27.634519 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -6.397 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: 3, replica: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -40.047047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.047047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.047047 (E_RNA) where: Base-Base interactions energy: -12.326 where: short stacking energy: -12.326 Base-Backbone interact. energy: -0.000 local terms energy: -27.721153 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -35.392552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.392552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.392552 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.003 local terms energy: -24.384043 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -5.564 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: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -32.021237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.021237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.021237 (E_RNA) where: Base-Base interactions energy: -10.368 where: short stacking energy: -10.368 Base-Backbone interact. energy: -0.101 local terms energy: -21.552031 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -38.091402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.091402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.091402 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.000 local terms energy: -24.944620 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -31.347588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347588 (E_RNA) where: Base-Base interactions energy: -10.374 where: short stacking energy: -10.374 Base-Backbone interact. energy: -0.027 local terms energy: -20.947039 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -29.488975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488975 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.004 local terms energy: -17.323033 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -28.425362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.425362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.425362 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.099 local terms energy: -19.867407 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -2.832 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: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -31.704893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704893 (E_RNA) where: Base-Base interactions energy: -9.846 where: short stacking energy: -9.846 Base-Backbone interact. energy: -0.000 local terms energy: -21.859361 where: bonds (distance) C4'-P energy: -3.021 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -41.024799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.024799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.024799 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.000 local terms energy: -28.324679 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -38.039093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039093 (E_RNA) where: Base-Base interactions energy: -15.347 where: short stacking energy: -15.347 Base-Backbone interact. energy: -0.000 local terms energy: -22.691540 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -1.418 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -37.416147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.416147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.416147 (E_RNA) where: Base-Base interactions energy: -13.592 where: short stacking energy: -13.592 Base-Backbone interact. energy: -0.000 local terms energy: -23.823832 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.313 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: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -34.224362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.224362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.224362 (E_RNA) where: Base-Base interactions energy: -12.822 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.000 local terms energy: -21.402608 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -1.776 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: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -37.845209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.845209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.845209 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.008 local terms energy: -26.274292 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -35.408365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.408365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.408365 (E_RNA) where: Base-Base interactions energy: -10.887 where: short stacking energy: -10.887 Base-Backbone interact. energy: -0.000 local terms energy: -24.521344 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -33.514344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.514344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.514344 (E_RNA) where: Base-Base interactions energy: -10.570 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.099 local terms energy: -22.845548 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -2.390 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: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -32.147538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.147538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.147538 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.013 local terms energy: -20.768931 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: 0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -27.628428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.628428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.628428 (E_RNA) where: Base-Base interactions energy: -9.301 where: short stacking energy: -9.301 Base-Backbone interact. energy: -0.003 local terms energy: -18.324035 where: bonds (distance) C4'-P energy: -2.438 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -1.659 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -29.456845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.456845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.456845 (E_RNA) where: Base-Base interactions energy: -14.557 where: short stacking energy: -14.686 Base-Backbone interact. energy: -0.036 local terms energy: -14.864088 where: bonds (distance) C4'-P energy: -1.986 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -0.644 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -39.017365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.017365 (E_RNA) where: Base-Base interactions energy: -17.099 where: short stacking energy: -17.099 Base-Backbone interact. energy: -0.017 local terms energy: -21.901366 where: bonds (distance) C4'-P energy: -3.911 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -40.363127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.363127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.363127 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -15.161 Base-Backbone interact. energy: -0.000 local terms energy: -25.201684 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -1.156 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -34.696816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.696816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.696816 (E_RNA) where: Base-Base interactions energy: -12.942 where: short stacking energy: -12.942 Base-Backbone interact. energy: -0.009 local terms energy: -21.746048 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -43.337721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.337721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.337721 (E_RNA) where: Base-Base interactions energy: -16.429 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.000 local terms energy: -26.908953 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -34.340849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.340849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.340849 (E_RNA) where: Base-Base interactions energy: -13.645 where: short stacking energy: -13.645 Base-Backbone interact. energy: -0.003 local terms energy: -20.692978 where: bonds (distance) C4'-P energy: -3.025 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -34.121141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.121141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.121141 (E_RNA) where: Base-Base interactions energy: -11.655 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.005 local terms energy: -22.461073 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.374 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: 7, replica: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -34.284084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.284084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.284084 (E_RNA) where: Base-Base interactions energy: -16.354 where: short stacking energy: -16.354 Base-Backbone interact. energy: -0.000 local terms energy: -17.930082 where: bonds (distance) C4'-P energy: -2.529 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -1.220 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -29.161335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.161335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.161335 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.072 local terms energy: -17.744856 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.165 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -1.837 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: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -33.147325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147325 (E_RNA) where: Base-Base interactions energy: -7.451 where: short stacking energy: -7.451 Base-Backbone interact. energy: -0.000 local terms energy: -25.695946 where: bonds (distance) C4'-P energy: -4.458 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -32.498525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.498525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.498525 (E_RNA) where: Base-Base interactions energy: -10.421 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.053 local terms energy: -22.024550 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.610 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: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -38.951296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951296 (E_RNA) where: Base-Base interactions energy: -12.076 where: short stacking energy: -12.076 Base-Backbone interact. energy: -0.019 local terms energy: -26.856907 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -34.434835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.434835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.434835 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.051 local terms energy: -22.478827 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -2.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -34.396018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.396018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.396018 (E_RNA) where: Base-Base interactions energy: -12.296 where: short stacking energy: -12.296 Base-Backbone interact. energy: -0.000 local terms energy: -22.099986 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.163 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: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -32.865116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.865116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.865116 (E_RNA) where: Base-Base interactions energy: -8.400 where: short stacking energy: -8.400 Base-Backbone interact. energy: -0.098 local terms energy: -24.367353 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -33.044962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.044962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.044962 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -12.190 Base-Backbone interact. energy: -0.172 local terms energy: -20.682708 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -3.696 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: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -34.594551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.594551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.594551 (E_RNA) where: Base-Base interactions energy: -15.909 where: short stacking energy: -15.909 Base-Backbone interact. energy: -0.016 local terms energy: -18.669055 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -1.811 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: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -30.166951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.166951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.166951 (E_RNA) where: Base-Base interactions energy: -10.049 where: short stacking energy: -10.079 Base-Backbone interact. energy: -0.000 local terms energy: -20.118163 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -2.321 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -36.019440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.019440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.019440 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.000 local terms energy: -23.536365 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -5.075 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: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -29.853672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.853672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.853672 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.007 local terms energy: -22.249359 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -1.564 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: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -26.568244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.568244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.568244 (E_RNA) where: Base-Base interactions energy: -7.197 where: short stacking energy: -7.197 Base-Backbone interact. energy: -0.384 local terms energy: -18.986997 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -2.819 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: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -41.316342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.316342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.316342 (E_RNA) where: Base-Base interactions energy: -16.999 where: short stacking energy: -16.999 Base-Backbone interact. energy: -0.000 local terms energy: -24.317348 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.451 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: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -32.619767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.619767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.619767 (E_RNA) where: Base-Base interactions energy: -9.174 where: short stacking energy: -9.174 Base-Backbone interact. energy: -0.006 local terms energy: -23.439250 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -5.792 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: 3, replica: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -38.810352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.810352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.810352 (E_RNA) where: Base-Base interactions energy: -13.763 where: short stacking energy: -13.763 Base-Backbone interact. energy: -0.104 local terms energy: -24.943350 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -33.458270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.458270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.458270 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -11.549 Base-Backbone interact. energy: 0.388 local terms energy: -22.297824 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -34.080647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.080647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.080647 (E_RNA) where: Base-Base interactions energy: -8.937 where: short stacking energy: -9.937 Base-Backbone interact. energy: -0.066 local terms energy: -25.077306 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -4.627 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: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -39.151838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.151838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.151838 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.000 local terms energy: -25.613624 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -28.813235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.813235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.813235 (E_RNA) where: Base-Base interactions energy: -12.861 where: short stacking energy: -12.861 Base-Backbone interact. energy: -0.044 local terms energy: -15.907767 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -2.386 flat angles P-C4'-P energy: -3.167 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: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -27.192884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.192884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.192884 (E_RNA) where: Base-Base interactions energy: -6.267 where: short stacking energy: -6.267 Base-Backbone interact. energy: -0.004 local terms energy: -20.922093 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -1.287 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -29.236606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.236606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.236606 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.000 local terms energy: -22.280298 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -2.241 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: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -28.768186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.768186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.768186 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.119 local terms energy: -19.286130 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -4.953 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: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -39.358553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.358553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.358553 (E_RNA) where: Base-Base interactions energy: -14.124 where: short stacking energy: -14.124 Base-Backbone interact. energy: -0.038 local terms energy: -25.197217 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -42.807525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.807525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.807525 (E_RNA) where: Base-Base interactions energy: -17.853 where: short stacking energy: -17.931 Base-Backbone interact. energy: -0.000 local terms energy: -24.954595 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -31.059844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.059844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.059844 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.011 local terms energy: -21.959168 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.259 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: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -35.138710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138710 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.012 local terms energy: -26.048659 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -4.242 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: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -38.397345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.397345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.397345 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.103 local terms energy: -25.901038 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -32.561653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.561653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.561653 (E_RNA) where: Base-Base interactions energy: -13.872 where: short stacking energy: -14.472 Base-Backbone interact. energy: -0.088 local terms energy: -18.602326 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -1.464 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -32.403316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.403316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.403316 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.068 local terms energy: -20.775312 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.566 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: 8, replica: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -31.100561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.100561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.100561 (E_RNA) where: Base-Base interactions energy: -9.149 where: short stacking energy: -9.149 Base-Backbone interact. energy: -0.000 local terms energy: -21.951419 where: bonds (distance) C4'-P energy: -3.228 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -26.785841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.785841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.785841 (E_RNA) where: Base-Base interactions energy: -9.350 where: short stacking energy: -9.350 Base-Backbone interact. energy: -0.003 local terms energy: -17.433197 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -2.359 tors. eta vs tors. theta energy: 1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -35.477161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.477161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.477161 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -1.120 local terms energy: -22.147630 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -44.559834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.559834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.559834 (E_RNA) where: Base-Base interactions energy: -17.293 where: short stacking energy: -17.293 Base-Backbone interact. energy: -0.000 local terms energy: -27.266329 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -38.529256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.529256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.529256 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -14.403 Base-Backbone interact. energy: -0.122 local terms energy: -24.056228 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -4.213 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: 3, replica: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -36.430969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.430969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.430969 (E_RNA) where: Base-Base interactions energy: -13.533 where: short stacking energy: -13.533 Base-Backbone interact. energy: -0.002 local terms energy: -22.895431 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -42.735525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.735525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.735525 (E_RNA) where: Base-Base interactions energy: -14.588 where: short stacking energy: -14.588 Base-Backbone interact. energy: -0.000 local terms energy: -28.147373 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -33.409732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.409732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.409732 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.003 local terms energy: -20.515553 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -34.970037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.970037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.970037 (E_RNA) where: Base-Base interactions energy: -11.680 where: short stacking energy: -11.680 Base-Backbone interact. energy: -0.084 local terms energy: -23.205803 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -33.175168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.175168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.175168 (E_RNA) where: Base-Base interactions energy: -12.751 where: short stacking energy: -12.751 Base-Backbone interact. energy: -0.009 local terms energy: -20.414798 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -1.860 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -31.920909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920909 (E_RNA) where: Base-Base interactions energy: -8.909 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.000 local terms energy: -23.011976 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -26.975881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.975881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.975881 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.002 local terms energy: -18.738737 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.035 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: 0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -30.930940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.930940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.930940 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.007 local terms energy: -23.606870 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -5.190 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: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -36.481083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.481083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.481083 (E_RNA) where: Base-Base interactions energy: -11.219 where: short stacking energy: -11.219 Base-Backbone interact. energy: -0.859 local terms energy: -24.403829 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -42.185714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.185714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.185714 (E_RNA) where: Base-Base interactions energy: -15.730 where: short stacking energy: -15.730 Base-Backbone interact. energy: -0.000 local terms energy: -26.455417 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -0.757 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -36.730369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.730369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.730369 (E_RNA) where: Base-Base interactions energy: -13.470 where: short stacking energy: -13.470 Base-Backbone interact. energy: -0.000 local terms energy: -23.259955 where: bonds (distance) C4'-P energy: -1.755 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -35.612838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.612838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.612838 (E_RNA) where: Base-Base interactions energy: -13.038 where: short stacking energy: -13.038 Base-Backbone interact. energy: -0.000 local terms energy: -22.574397 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -32.960765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.960765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.960765 (E_RNA) where: Base-Base interactions energy: -10.216 where: short stacking energy: -10.216 Base-Backbone interact. energy: -0.003 local terms energy: -22.741481 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -5.099 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: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -37.466805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.466805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.466805 (E_RNA) where: Base-Base interactions energy: -15.051 where: short stacking energy: -15.051 Base-Backbone interact. energy: 0.567 local terms energy: -22.983093 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -33.834780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834780 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -12.041 Base-Backbone interact. energy: -0.083 local terms energy: -21.711523 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.625 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: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -28.933262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.933262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.933262 (E_RNA) where: Base-Base interactions energy: -8.208 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.123 local terms energy: -20.601869 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.796 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: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -32.711317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.711317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.711317 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.004 local terms energy: -22.577995 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -1.867 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: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -29.330284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.330284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.330284 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -8.500 Base-Backbone interact. energy: -0.051 local terms energy: -21.045922 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -5.047 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: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -44.571584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.571584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.571584 (E_RNA) where: Base-Base interactions energy: -15.707 where: short stacking energy: -15.707 Base-Backbone interact. energy: -0.000 local terms energy: -28.864111 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -41.390951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.390951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.390951 (E_RNA) where: Base-Base interactions energy: -16.137 where: short stacking energy: -16.137 Base-Backbone interact. energy: -0.000 local terms energy: -25.254021 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -36.643621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.643621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.643621 (E_RNA) where: Base-Base interactions energy: -11.654 where: short stacking energy: -11.654 Base-Backbone interact. energy: -0.000 local terms energy: -24.989327 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -5.410 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: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -37.931800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.931800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.931800 (E_RNA) where: Base-Base interactions energy: -12.321 where: short stacking energy: -12.321 Base-Backbone interact. energy: -0.008 local terms energy: -25.602701 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -32.110535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.110535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.110535 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.008 local terms energy: -23.629719 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.713 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: 6, replica: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -32.353297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.353297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.353297 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -10.907 Base-Backbone interact. energy: -0.004 local terms energy: -21.441894 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -2.635 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -29.313226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.313226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.313226 (E_RNA) where: Base-Base interactions energy: -10.726 where: short stacking energy: -10.726 Base-Backbone interact. energy: -0.069 local terms energy: -18.518868 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -3.212 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: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -29.745623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.745623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.745623 (E_RNA) where: Base-Base interactions energy: -6.564 where: short stacking energy: -6.893 Base-Backbone interact. energy: -0.100 local terms energy: -23.081627 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -32.291716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.291716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.291716 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.000 local terms energy: -22.996765 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.123 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: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -27.483314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483314 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.004 local terms energy: -17.466430 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.058 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: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -37.678101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.678101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.678101 (E_RNA) where: Base-Base interactions energy: -14.424 where: short stacking energy: -14.424 Base-Backbone interact. energy: -0.034 local terms energy: -23.219828 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -39.852105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.852105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.852105 (E_RNA) where: Base-Base interactions energy: -18.282 where: short stacking energy: -18.282 Base-Backbone interact. energy: -0.000 local terms energy: -21.570261 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.188 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: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -36.029758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.029758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.029758 (E_RNA) where: Base-Base interactions energy: -12.982 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.001 local terms energy: -23.046738 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -35.804636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.804636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.804636 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.000 local terms energy: -22.516639 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -33.550425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550425 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.000 local terms energy: -23.277325 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -1.980 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -33.790181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.790181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.790181 (E_RNA) where: Base-Base interactions energy: -12.132 where: short stacking energy: -12.132 Base-Backbone interact. energy: -0.000 local terms energy: -21.658556 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -30.082671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.082671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.082671 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.001 local terms energy: -20.082211 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -0.999 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -29.951526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951526 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.005 local terms energy: -13.261600 where: bonds (distance) C4'-P energy: -2.793 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: 0.439 tors. eta vs tors. theta energy: 0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -29.339164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.339164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.339164 (E_RNA) where: Base-Base interactions energy: -7.516 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.000 local terms energy: -21.822860 where: bonds (distance) C4'-P energy: -4.468 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.836 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: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -26.952062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.952062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.952062 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -5.966 Base-Backbone interact. energy: -0.001 local terms energy: -19.599699 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.511 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: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -42.106388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.106388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.106388 (E_RNA) where: Base-Base interactions energy: -17.622 where: short stacking energy: -17.622 Base-Backbone interact. energy: -0.052 local terms energy: -24.432229 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -36.449807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449807 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.000 local terms energy: -24.248364 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -5.592 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: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -39.545247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545247 (E_RNA) where: Base-Base interactions energy: -16.364 where: short stacking energy: -16.364 Base-Backbone interact. energy: -0.000 local terms energy: -23.180678 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -37.176142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.176142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.176142 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.155 local terms energy: -23.800239 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.938 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: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -36.025927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.025927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.025927 (E_RNA) where: Base-Base interactions energy: -9.259 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.010 local terms energy: -26.757203 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -37.268180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.268180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.268180 (E_RNA) where: Base-Base interactions energy: -13.552 where: short stacking energy: -13.552 Base-Backbone interact. energy: -0.011 local terms energy: -23.705519 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -3.634 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: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -31.412998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.412998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.412998 (E_RNA) where: Base-Base interactions energy: -9.082 where: short stacking energy: -9.126 Base-Backbone interact. energy: -0.110 local terms energy: -22.221616 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -3.864 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: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -27.475805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.475805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.475805 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.116 local terms energy: -15.856831 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -2.715 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -30.665201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.665201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.665201 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.002 local terms energy: -20.343937 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -34.124401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.124401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.124401 (E_RNA) where: Base-Base interactions energy: -12.798 where: short stacking energy: -12.798 Base-Backbone interact. energy: -0.047 local terms energy: -21.279606 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -1.112 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -41.653662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.653662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.653662 (E_RNA) where: Base-Base interactions energy: -16.515 where: short stacking energy: -16.515 Base-Backbone interact. energy: -0.014 local terms energy: -25.123852 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -38.395376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.395376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.395376 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.000 local terms energy: -21.559250 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -0.403 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -36.501692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.501692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.501692 (E_RNA) where: Base-Base interactions energy: -13.461 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.000 local terms energy: -23.041044 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -2.752 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: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -36.288049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.288049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.288049 (E_RNA) where: Base-Base interactions energy: -13.631 where: short stacking energy: -13.631 Base-Backbone interact. energy: -0.032 local terms energy: -22.624809 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -38.464608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.464608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.464608 (E_RNA) where: Base-Base interactions energy: -12.638 where: short stacking energy: -12.638 Base-Backbone interact. energy: -0.000 local terms energy: -25.827025 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -32.303701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.303701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.303701 (E_RNA) where: Base-Base interactions energy: -11.520 where: short stacking energy: -11.520 Base-Backbone interact. energy: -0.008 local terms energy: -20.775865 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -38.754419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.754419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.754419 (E_RNA) where: Base-Base interactions energy: -15.363 where: short stacking energy: -15.363 Base-Backbone interact. energy: -0.003 local terms energy: -23.388683 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.807 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: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -31.503945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.503945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.503945 (E_RNA) where: Base-Base interactions energy: -9.469 where: short stacking energy: -9.469 Base-Backbone interact. energy: -0.150 local terms energy: -21.885469 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -1.994 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: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -30.102027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.102027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.102027 (E_RNA) where: Base-Base interactions energy: -8.121 where: short stacking energy: -8.121 Base-Backbone interact. energy: -0.088 local terms energy: -21.892194 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -1.657 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: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -29.030506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.030506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.030506 (E_RNA) where: Base-Base interactions energy: -9.497 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.134 local terms energy: -19.399379 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.074 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -42.487785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.487785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.487785 (E_RNA) where: Base-Base interactions energy: -17.879 where: short stacking energy: -17.879 Base-Backbone interact. energy: -0.018 local terms energy: -24.590942 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -39.752035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.752035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.752035 (E_RNA) where: Base-Base interactions energy: -16.534 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.044 local terms energy: -23.173880 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -35.204773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.204773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.204773 (E_RNA) where: Base-Base interactions energy: -12.950 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.002 local terms energy: -22.252550 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -40.253895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.253895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.253895 (E_RNA) where: Base-Base interactions energy: -13.356 where: short stacking energy: -13.356 Base-Backbone interact. energy: -0.470 local terms energy: -26.427711 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -5.317 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: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -35.896940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.896940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.896940 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.000 local terms energy: -23.798976 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -35.017966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.017966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.017966 (E_RNA) where: Base-Base interactions energy: -12.237 where: short stacking energy: -12.237 Base-Backbone interact. energy: -0.012 local terms energy: -22.769404 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -27.907785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.907785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.907785 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.015 local terms energy: -19.925161 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.307 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: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -31.915827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.915827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.915827 (E_RNA) where: Base-Base interactions energy: -8.738 where: short stacking energy: -8.738 Base-Backbone interact. energy: -0.004 local terms energy: -23.173778 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -26.382514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.382514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.382514 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.043 local terms energy: -18.480106 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -2.343 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.906 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: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -32.328840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.328840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.328840 (E_RNA) where: Base-Base interactions energy: -10.164 where: short stacking energy: -10.164 Base-Backbone interact. energy: -0.095 local terms energy: -22.070428 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -4.602 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: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -39.444169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.444169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.444169 (E_RNA) where: Base-Base interactions energy: -12.498 where: short stacking energy: -12.498 Base-Backbone interact. energy: -0.000 local terms energy: -26.945995 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -35.565631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.565631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.565631 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.096 local terms energy: -22.812352 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.554 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: 3, replica: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -37.754575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.754575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.754575 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.000 local terms energy: -23.991893 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -5.286 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: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -37.014875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.014875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.014875 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.000 local terms energy: -22.664134 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -5.929 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: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -36.963539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.963539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.963539 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -12.564 Base-Backbone interact. energy: -0.000 local terms energy: -24.399223 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -32.627940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.627940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.627940 (E_RNA) where: Base-Base interactions energy: -13.380 where: short stacking energy: -13.380 Base-Backbone interact. energy: -0.044 local terms energy: -19.204602 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.175 flat angles P-C4'-P energy: -3.689 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: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -30.327732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.327732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.327732 (E_RNA) where: Base-Base interactions energy: -7.549 where: short stacking energy: -7.549 Base-Backbone interact. energy: -0.003 local terms energy: -22.776039 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -4.891 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: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -33.377931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.377931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.377931 (E_RNA) where: Base-Base interactions energy: -11.473 where: short stacking energy: -11.473 Base-Backbone interact. energy: -0.005 local terms energy: -21.899510 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -0.612 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -31.106361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.106361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.106361 (E_RNA) where: Base-Base interactions energy: -8.571 where: short stacking energy: -8.571 Base-Backbone interact. energy: -0.000 local terms energy: -22.535783 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -32.000448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.000448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.000448 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.000 local terms energy: -22.270613 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -39.893349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.893349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.893349 (E_RNA) where: Base-Base interactions energy: -14.108 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.045 local terms energy: -25.740761 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -40.713580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713580 (E_RNA) where: Base-Base interactions energy: -15.386 where: short stacking energy: -15.386 Base-Backbone interact. energy: -0.000 local terms energy: -25.327747 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -35.387488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.387488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.387488 (E_RNA) where: Base-Base interactions energy: -16.292 where: short stacking energy: -16.292 Base-Backbone interact. energy: -0.093 local terms energy: -19.002579 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -1.358 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -37.027669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.027669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.027669 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.000 local terms energy: -20.767517 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -31.728016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.728016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.728016 (E_RNA) where: Base-Base interactions energy: -9.930 where: short stacking energy: -9.930 Base-Backbone interact. energy: -0.074 local terms energy: -21.723687 where: bonds (distance) C4'-P energy: -4.136 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -35.394008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.394008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.394008 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -21.155595 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.736 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: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -37.652135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.652135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.652135 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.001 local terms energy: -23.189934 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -31.010797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.010797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.010797 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.001 local terms energy: -21.375853 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -28.654263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.654263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.654263 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.277 local terms energy: -20.885226 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -1.669 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -28.758420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.758420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.758420 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.039 local terms energy: -20.896291 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -2.027 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: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -44.091188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.091188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.091188 (E_RNA) where: Base-Base interactions energy: -17.272 where: short stacking energy: -17.272 Base-Backbone interact. energy: -0.000 local terms energy: -26.818644 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -36.101207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.101207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.101207 (E_RNA) where: Base-Base interactions energy: -12.125 where: short stacking energy: -12.125 Base-Backbone interact. energy: -0.000 local terms energy: -23.976018 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.851 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: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -38.596935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.596935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.596935 (E_RNA) where: Base-Base interactions energy: -15.492 where: short stacking energy: -15.492 Base-Backbone interact. energy: -0.000 local terms energy: -23.104707 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.780 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: 9 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -38.072116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.072116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.072116 (E_RNA) where: Base-Base interactions energy: -17.378 where: short stacking energy: -17.378 Base-Backbone interact. energy: -0.020 local terms energy: -20.674159 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -1.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -35.592007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.592007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.592007 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.000 local terms energy: -22.341347 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -30.661207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661207 (E_RNA) where: Base-Base interactions energy: -8.546 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.071 local terms energy: -22.044393 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.683 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: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -30.360864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.360864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.360864 (E_RNA) where: Base-Base interactions energy: -9.961 where: short stacking energy: -9.961 Base-Backbone interact. energy: -0.000 local terms energy: -20.400045 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -2.723 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -33.366067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.366067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.366067 (E_RNA) where: Base-Base interactions energy: -8.733 where: short stacking energy: -8.733 Base-Backbone interact. energy: -0.011 local terms energy: -24.622778 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -35.089570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.089570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.089570 (E_RNA) where: Base-Base interactions energy: -12.011 where: short stacking energy: -12.011 Base-Backbone interact. energy: -0.106 local terms energy: -22.972190 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.706 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: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -37.092923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.092923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.092923 (E_RNA) where: Base-Base interactions energy: -14.594 where: short stacking energy: -14.594 Base-Backbone interact. energy: -0.000 local terms energy: -22.498430 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -39.305931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.305931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.305931 (E_RNA) where: Base-Base interactions energy: -15.446 where: short stacking energy: -15.446 Base-Backbone interact. energy: -0.097 local terms energy: -23.762734 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -39.069713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.069713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.069713 (E_RNA) where: Base-Base interactions energy: -14.859 where: short stacking energy: -14.859 Base-Backbone interact. energy: -0.000 local terms energy: -24.210825 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.655 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: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -34.406360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.406360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.406360 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.073 local terms energy: -25.203750 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -3.887 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: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -36.797409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.797409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.797409 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -12.969 Base-Backbone interact. energy: -0.102 local terms energy: -23.727323 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -28.589254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.589254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.589254 (E_RNA) where: Base-Base interactions energy: -10.046 where: short stacking energy: -10.546 Base-Backbone interact. energy: -0.055 local terms energy: -18.488094 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -2.759 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: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -34.464024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.464024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.464024 (E_RNA) where: Base-Base interactions energy: -9.013 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.006 local terms energy: -25.445033 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -29.724258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.724258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.724258 (E_RNA) where: Base-Base interactions energy: -9.849 where: short stacking energy: -9.849 Base-Backbone interact. energy: -0.047 local terms energy: -19.828477 where: bonds (distance) C4'-P energy: -3.035 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -32.821637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.821637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.821637 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.071 Base-Backbone interact. energy: -0.102 local terms energy: -21.648571 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.262 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -30.983967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.983967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.983967 (E_RNA) where: Base-Base interactions energy: -9.246 where: short stacking energy: -9.246 Base-Backbone interact. energy: -0.085 local terms energy: -21.653110 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -30.459064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.459064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.459064 (E_RNA) where: Base-Base interactions energy: -9.773 where: short stacking energy: -9.773 Base-Backbone interact. energy: -0.100 local terms energy: -20.586147 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.149 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: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -39.797598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.797598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.797598 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.000 local terms energy: -26.277374 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -40.581995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.581995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.581995 (E_RNA) where: Base-Base interactions energy: -16.154 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.024 local terms energy: -24.404178 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -3.996 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: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -38.004373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.004373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.004373 (E_RNA) where: Base-Base interactions energy: -13.029 where: short stacking energy: -13.029 Base-Backbone interact. energy: -0.000 local terms energy: -24.975495 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -33.742212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.742212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.742212 (E_RNA) where: Base-Base interactions energy: -12.901 where: short stacking energy: -12.901 Base-Backbone interact. energy: -0.011 local terms energy: -20.829760 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -39.030598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.030598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.030598 (E_RNA) where: Base-Base interactions energy: -15.545 where: short stacking energy: -15.545 Base-Backbone interact. energy: -0.000 local terms energy: -23.485463 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -33.268813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.268813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.268813 (E_RNA) where: Base-Base interactions energy: -11.432 where: short stacking energy: -11.432 Base-Backbone interact. energy: -0.000 local terms energy: -21.836489 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.314 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -30.315449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315449 (E_RNA) where: Base-Base interactions energy: -12.762 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.088 local terms energy: -17.465094 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -1.092 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: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -28.043739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.043739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.043739 (E_RNA) where: Base-Base interactions energy: -12.820 where: short stacking energy: -12.820 Base-Backbone interact. energy: -0.183 local terms energy: -15.039852 where: bonds (distance) C4'-P energy: -2.690 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -31.530328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.530328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.530328 (E_RNA) where: Base-Base interactions energy: -12.501 where: short stacking energy: -12.501 Base-Backbone interact. energy: -0.088 local terms energy: -18.941599 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -3.807 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -31.914734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914734 (E_RNA) where: Base-Base interactions energy: -8.360 where: short stacking energy: -8.360 Base-Backbone interact. energy: -0.000 local terms energy: -23.554297 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -35.293923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.293923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.293923 (E_RNA) where: Base-Base interactions energy: -12.188 where: short stacking energy: -12.188 Base-Backbone interact. energy: -0.005 local terms energy: -23.101679 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -1.504 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -37.281823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.281823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.281823 (E_RNA) where: Base-Base interactions energy: -15.281 where: short stacking energy: -15.281 Base-Backbone interact. energy: -0.066 local terms energy: -21.934806 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -37.513677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.513677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.513677 (E_RNA) where: Base-Base interactions energy: -12.367 where: short stacking energy: -12.367 Base-Backbone interact. energy: -0.000 local terms energy: -25.146362 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -34.438194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.438194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.438194 (E_RNA) where: Base-Base interactions energy: -13.342 where: short stacking energy: -13.342 Base-Backbone interact. energy: -0.003 local terms energy: -21.093770 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.654 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: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -32.796440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.796440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.796440 (E_RNA) where: Base-Base interactions energy: -11.618 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.017 local terms energy: -21.160998 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.153 flat angles P-C4'-P energy: -3.219 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: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -35.767605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.767605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.767605 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.000 local terms energy: -26.595417 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -5.390 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: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -34.170350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.170350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.170350 (E_RNA) where: Base-Base interactions energy: -10.490 where: short stacking energy: -10.490 Base-Backbone interact. energy: -0.000 local terms energy: -23.680119 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -4.102 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: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -31.183782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.183782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.183782 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.945 Base-Backbone interact. energy: -0.011 local terms energy: -18.528158 where: bonds (distance) C4'-P energy: -2.749 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -32.147183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.147183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.147183 (E_RNA) where: Base-Base interactions energy: -11.109 where: short stacking energy: -11.109 Base-Backbone interact. energy: -0.001 local terms energy: -21.037638 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -2.739 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: 10, replica: 6 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -31.707440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.707440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.707440 (E_RNA) where: Base-Base interactions energy: -10.188 where: short stacking energy: -10.188 Base-Backbone interact. energy: -0.000 local terms energy: -21.519622 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -43.493953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.493953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.493953 (E_RNA) where: Base-Base interactions energy: -17.791 where: short stacking energy: -17.791 Base-Backbone interact. energy: -0.000 local terms energy: -25.702420 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -40.393587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.393587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.393587 (E_RNA) where: Base-Base interactions energy: -15.820 where: short stacking energy: -15.820 Base-Backbone interact. energy: -0.010 local terms energy: -24.563978 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -36.581488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.581488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.581488 (E_RNA) where: Base-Base interactions energy: -11.412 where: short stacking energy: -11.412 Base-Backbone interact. energy: -0.001 local terms energy: -25.168382 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -36.569169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.569169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.569169 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.011 local terms energy: -23.476709 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -31.592807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.592807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.592807 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.040 local terms energy: -21.199019 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -4.430 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: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -30.451631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.451631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.451631 (E_RNA) where: Base-Base interactions energy: -12.294 where: short stacking energy: -12.294 Base-Backbone interact. energy: -0.001 local terms energy: -18.156671 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -35.069530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.069530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.069530 (E_RNA) where: Base-Base interactions energy: -12.476 where: short stacking energy: -12.476 Base-Backbone interact. energy: -0.014 local terms energy: -22.579863 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -30.554679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.554679 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -9.852 Base-Backbone interact. energy: -0.000 local terms energy: -20.701849 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -28.703609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.703609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.703609 (E_RNA) where: Base-Base interactions energy: -12.604 where: short stacking energy: -12.604 Base-Backbone interact. energy: -0.006 local terms energy: -16.094122 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: 0.157 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.887 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: 10, replica: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -25.800713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.800713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.800713 (E_RNA) where: Base-Base interactions energy: -6.784 where: short stacking energy: -2.929 Base-Backbone interact. energy: -0.069 local terms energy: -18.947955 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.877 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: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -39.148919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.148919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.148919 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.000 local terms energy: -25.247046 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.769 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: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -43.439319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.439319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.439319 (E_RNA) where: Base-Base interactions energy: -18.474 where: short stacking energy: -18.474 Base-Backbone interact. energy: -0.000 local terms energy: -24.965184 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -35.707549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.707549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.707549 (E_RNA) where: Base-Base interactions energy: -10.439 where: short stacking energy: -10.439 Base-Backbone interact. energy: -0.058 local terms energy: -25.209974 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -36.843157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.843157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.843157 (E_RNA) where: Base-Base interactions energy: -11.968 where: short stacking energy: -11.968 Base-Backbone interact. energy: -0.000 local terms energy: -24.875114 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -32.271659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.271659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.271659 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.060 local terms energy: -24.538179 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -4.698 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: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -35.464000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.464000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.464000 (E_RNA) where: Base-Base interactions energy: -11.956 where: short stacking energy: -11.956 Base-Backbone interact. energy: -0.000 local terms energy: -23.508295 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -32.590611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.590611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.590611 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: 0.441 local terms energy: -21.489893 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -3.871 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: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -33.391938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.391938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.391938 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.013 local terms energy: -20.033160 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -1.735 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -25.260917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.260917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.260917 (E_RNA) where: Base-Base interactions energy: -3.804 where: short stacking energy: -3.804 Base-Backbone interact. energy: -0.071 local terms energy: -21.385576 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.523 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: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -27.087136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.087136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.087136 (E_RNA) where: Base-Base interactions energy: -7.770 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.000 local terms energy: -19.316770 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -2.004 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: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -42.230945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.230945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.230945 (E_RNA) where: Base-Base interactions energy: -17.351 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.000 local terms energy: -24.879872 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -40.046005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.046005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.046005 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.000 local terms energy: -26.967166 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -5.917 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: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -40.282920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.282920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.282920 (E_RNA) where: Base-Base interactions energy: -17.706 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.032 local terms energy: -22.545226 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -1.975 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: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -38.755041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.755041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.755041 (E_RNA) where: Base-Base interactions energy: -12.461 where: short stacking energy: -12.461 Base-Backbone interact. energy: -0.015 local terms energy: -26.279619 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.088 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: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -36.714582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.714582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.714582 (E_RNA) where: Base-Base interactions energy: -13.073 where: short stacking energy: -13.206 Base-Backbone interact. energy: -0.000 local terms energy: -23.641021 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -32.810332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.810332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.810332 (E_RNA) where: Base-Base interactions energy: -8.925 where: short stacking energy: -8.925 Base-Backbone interact. energy: -0.000 local terms energy: -23.884702 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -35.358292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.358292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.358292 (E_RNA) where: Base-Base interactions energy: -15.649 where: short stacking energy: -15.649 Base-Backbone interact. energy: -0.007 local terms energy: -19.702650 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.147 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: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -27.335011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.335011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.335011 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.051 local terms energy: -19.568506 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -31.878884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.878884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.878884 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.131 local terms energy: -23.547203 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -3.521 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: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -26.167117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.167117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.167117 (E_RNA) where: Base-Base interactions energy: -4.346 where: short stacking energy: -4.346 Base-Backbone interact. energy: -0.849 local terms energy: -20.972585 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.091 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: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -39.441725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.441725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.441725 (E_RNA) where: Base-Base interactions energy: -13.576 where: short stacking energy: -13.576 Base-Backbone interact. energy: -0.043 local terms energy: -25.823213 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -43.569082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.569082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.569082 (E_RNA) where: Base-Base interactions energy: -17.749 where: short stacking energy: -17.749 Base-Backbone interact. energy: -0.000 local terms energy: -25.819777 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -38.020345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.020345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.020345 (E_RNA) where: Base-Base interactions energy: -12.898 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.000 local terms energy: -25.121988 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -35.285056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.285056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.285056 (E_RNA) where: Base-Base interactions energy: -15.280 where: short stacking energy: -15.280 Base-Backbone interact. energy: -0.002 local terms energy: -20.003129 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -35.438180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.438180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.438180 (E_RNA) where: Base-Base interactions energy: -14.980 where: short stacking energy: -14.980 Base-Backbone interact. energy: -0.002 local terms energy: -20.455953 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.269 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: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -35.617025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.617025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.617025 (E_RNA) where: Base-Base interactions energy: -14.419 where: short stacking energy: -14.419 Base-Backbone interact. energy: -0.000 local terms energy: -21.198094 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -5.034 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -30.308446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.308446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.308446 (E_RNA) where: Base-Base interactions energy: -6.712 where: short stacking energy: -6.712 Base-Backbone interact. energy: -0.000 local terms energy: -23.595742 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -30.195754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.195754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.195754 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.000 local terms energy: -19.648971 where: bonds (distance) C4'-P energy: -1.249 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.857 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: 9, replica: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -26.200852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.200852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.200852 (E_RNA) where: Base-Base interactions energy: -11.887 where: short stacking energy: -11.887 Base-Backbone interact. energy: -0.008 local terms energy: -14.306499 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -33.778761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.778761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.778761 (E_RNA) where: Base-Base interactions energy: -13.114 where: short stacking energy: -13.114 Base-Backbone interact. energy: -0.001 local terms energy: -20.662972 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.265 flat angles P-C4'-P energy: -1.558 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -40.329447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.329447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.329447 (E_RNA) where: Base-Base interactions energy: -14.425 where: short stacking energy: -14.425 Base-Backbone interact. energy: -0.000 local terms energy: -25.903746 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.419 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: 2, replica: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -36.700259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.700259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.700259 (E_RNA) where: Base-Base interactions energy: -14.411 where: short stacking energy: -14.411 Base-Backbone interact. energy: -0.085 local terms energy: -22.203965 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -2.386 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -40.814033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.814033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.814033 (E_RNA) where: Base-Base interactions energy: -13.218 where: short stacking energy: -13.218 Base-Backbone interact. energy: -0.000 local terms energy: -27.595768 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -40.516701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.516701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.516701 (E_RNA) where: Base-Base interactions energy: -17.034 where: short stacking energy: -17.034 Base-Backbone interact. energy: 1.209 local terms energy: -24.692031 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -5.400 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: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -32.304564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.304564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.304564 (E_RNA) where: Base-Base interactions energy: -13.146 where: short stacking energy: -13.146 Base-Backbone interact. energy: -0.001 local terms energy: -19.157199 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -2.007 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: 6, replica: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -32.023158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023158 (E_RNA) where: Base-Base interactions energy: -11.109 where: short stacking energy: -11.109 Base-Backbone interact. energy: -0.095 local terms energy: -20.819639 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -1.694 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -36.790159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.790159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.790159 (E_RNA) where: Base-Base interactions energy: -12.018 where: short stacking energy: -12.018 Base-Backbone interact. energy: -0.000 local terms energy: -24.772357 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -31.443917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.443917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.443917 (E_RNA) where: Base-Base interactions energy: -12.323 where: short stacking energy: -12.323 Base-Backbone interact. energy: -0.001 local terms energy: -19.120000 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -2.847 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: 9, replica: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -32.315450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.315450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.315450 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: -0.035 local terms energy: -20.910362 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -2.974 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -34.151025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.151025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.151025 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.000 local terms energy: -22.367369 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -3.346 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -44.804550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.804550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.804550 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.005 local terms energy: -27.408584 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -39.855955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.855955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.855955 (E_RNA) where: Base-Base interactions energy: -15.217 where: short stacking energy: -15.217 Base-Backbone interact. energy: -0.000 local terms energy: -24.639155 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -42.273266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.273266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.273266 (E_RNA) where: Base-Base interactions energy: -16.908 where: short stacking energy: -16.908 Base-Backbone interact. energy: -0.000 local terms energy: -25.365557 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -35.515540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.515540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.515540 (E_RNA) where: Base-Base interactions energy: -11.978 where: short stacking energy: -11.978 Base-Backbone interact. energy: -0.155 local terms energy: -23.382316 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -32.661547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.661547 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -11.807 Base-Backbone interact. energy: -0.003 local terms energy: -20.852229 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -3.992 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: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -29.883130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.883130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.883130 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: -0.000 local terms energy: -18.898698 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -1.062 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -32.905234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.905234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.905234 (E_RNA) where: Base-Base interactions energy: -9.961 where: short stacking energy: -9.961 Base-Backbone interact. energy: -0.053 local terms energy: -22.891074 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -33.098225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.098225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.098225 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.097 local terms energy: -20.571147 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -0.218 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -33.539515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.539515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.539515 (E_RNA) where: Base-Base interactions energy: -9.317 where: short stacking energy: -9.317 Base-Backbone interact. energy: -0.001 local terms energy: -24.222329 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -28.190945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.190945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.190945 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: 0.149 local terms energy: -17.535734 where: bonds (distance) C4'-P energy: -3.224 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -0.978 flat angles P-C4'-P energy: -4.098 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: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -39.027212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.027212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.027212 (E_RNA) where: Base-Base interactions energy: -15.761 where: short stacking energy: -15.761 Base-Backbone interact. energy: -0.000 local terms energy: -23.266456 where: bonds (distance) C4'-P energy: -4.507 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.772 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: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -37.125684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.125684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.125684 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.138 local terms energy: -24.750986 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -38.664331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.664331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.664331 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.000 local terms energy: -20.772962 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -33.989107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.989107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.989107 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.001 local terms energy: -22.366620 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -34.925009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.925009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.925009 (E_RNA) where: Base-Base interactions energy: -14.004 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.000 local terms energy: -20.920742 where: bonds (distance) C4'-P energy: -3.758 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -36.629880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.629880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.629880 (E_RNA) where: Base-Base interactions energy: -15.658 where: short stacking energy: -15.658 Base-Backbone interact. energy: -0.003 local terms energy: -20.969503 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -3.426 flat angles C4'-P-C4' energy: -3.135 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -35.646925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.646925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.646925 (E_RNA) where: Base-Base interactions energy: -13.567 where: short stacking energy: -13.567 Base-Backbone interact. energy: -0.100 local terms energy: -21.979803 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -31.201782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.201782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.201782 (E_RNA) where: Base-Base interactions energy: -9.151 where: short stacking energy: -9.254 Base-Backbone interact. energy: 0.387 local terms energy: -22.437820 where: bonds (distance) C4'-P energy: -3.444 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -4.476 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: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -33.051395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.051395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.051395 (E_RNA) where: Base-Base interactions energy: -12.328 where: short stacking energy: -12.328 Base-Backbone interact. energy: -0.000 local terms energy: -20.722869 where: bonds (distance) C4'-P energy: -3.970 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.642 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: 10, replica: 5 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -24.093524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.093524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.093524 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -8.920 Base-Backbone interact. energy: -0.027 local terms energy: -15.146599 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: 1.221 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -39.134015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.134015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.134015 (E_RNA) where: Base-Base interactions energy: -16.184 where: short stacking energy: -16.184 Base-Backbone interact. energy: -0.087 local terms energy: -22.862464 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -39.960048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.960048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.960048 (E_RNA) where: Base-Base interactions energy: -16.983 where: short stacking energy: -16.983 Base-Backbone interact. energy: -0.001 local terms energy: -22.976387 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -34.974931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.974931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.974931 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.002 local terms energy: -21.452564 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -2.820 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: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -38.073626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073626 (E_RNA) where: Base-Base interactions energy: -14.269 where: short stacking energy: -14.269 Base-Backbone interact. energy: -0.000 local terms energy: -23.804743 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.392 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -41.211249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.211249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.211249 (E_RNA) where: Base-Base interactions energy: -14.215 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.000 local terms energy: -26.996698 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -5.327 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: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -34.285209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.285209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.285209 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.000 local terms energy: -22.537217 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -34.971638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.971638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.971638 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.056 local terms energy: -23.090112 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -3.807 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: 8, replica: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -30.921702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.921702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.921702 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.000 local terms energy: -23.250985 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -28.320566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.320566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.320566 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.082 local terms energy: -18.533057 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.582 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: 0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -32.054323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.054323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.054323 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.004 local terms energy: -22.750590 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -35.888667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.888667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.888667 (E_RNA) where: Base-Base interactions energy: -14.440 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.081 local terms energy: -21.367254 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.338 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: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -36.299244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.299244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.299244 (E_RNA) where: Base-Base interactions energy: -11.656 where: short stacking energy: -11.656 Base-Backbone interact. energy: -0.016 local terms energy: -24.627039 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -5.211 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: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -33.983966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.983966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.983966 (E_RNA) where: Base-Base interactions energy: -12.232 where: short stacking energy: -12.232 Base-Backbone interact. energy: -0.007 local terms energy: -21.745288 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -38.264994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.264994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.264994 (E_RNA) where: Base-Base interactions energy: -15.118 where: short stacking energy: -15.118 Base-Backbone interact. energy: -0.000 local terms energy: -23.146495 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.445 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -34.283179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.283179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.283179 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.645 Base-Backbone interact. energy: -0.001 local terms energy: -21.636831 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.830 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: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -34.035099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.035099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.035099 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.000 local terms energy: -21.438428 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -29.542096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.542096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.542096 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.100 local terms energy: -20.329085 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.745 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -26.529835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.529835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.529835 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: 0.269 local terms energy: -19.307656 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.561 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: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -33.231539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.231539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.231539 (E_RNA) where: Base-Base interactions energy: -9.467 where: short stacking energy: -9.467 Base-Backbone interact. energy: -0.000 local terms energy: -23.764373 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -25.343004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.343004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.343004 (E_RNA) where: Base-Base interactions energy: -5.535 where: short stacking energy: -5.535 Base-Backbone interact. energy: -0.000 local terms energy: -19.807576 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -3.218 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -36.666389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.666389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.666389 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.911 Base-Backbone interact. energy: -0.072 local terms energy: -23.984981 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -32.823418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.823418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.823418 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.004 local terms energy: -19.873989 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.031 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: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -37.754977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.754977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.754977 (E_RNA) where: Base-Base interactions energy: -13.868 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.094 local terms energy: -23.793443 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -4.542 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: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -36.950454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.950454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.950454 (E_RNA) where: Base-Base interactions energy: -12.585 where: short stacking energy: -12.585 Base-Backbone interact. energy: -0.053 local terms energy: -24.312268 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -33.945035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.945035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.945035 (E_RNA) where: Base-Base interactions energy: -12.403 where: short stacking energy: -12.403 Base-Backbone interact. energy: -0.007 local terms energy: -21.534803 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -2.285 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: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -34.051663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.051663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.051663 (E_RNA) where: Base-Base interactions energy: -14.910 where: short stacking energy: -14.910 Base-Backbone interact. energy: -0.001 local terms energy: -19.141184 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -4.187 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: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -33.480096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.480096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.480096 (E_RNA) where: Base-Base interactions energy: -10.113 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.019 local terms energy: -23.347918 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -29.888708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.888708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.888708 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.098 local terms energy: -21.577659 where: bonds (distance) C4'-P energy: -4.048 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.888 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: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -29.596279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596279 (E_RNA) where: Base-Base interactions energy: -8.598 where: short stacking energy: -8.598 Base-Backbone interact. energy: -0.068 local terms energy: -20.930240 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -2.578 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: 10, replica: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -26.831085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.831085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.831085 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: 0.118 local terms energy: -19.600731 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -4.459 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: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -44.693903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.693903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.693903 (E_RNA) where: Base-Base interactions energy: -17.715 where: short stacking energy: -17.715 Base-Backbone interact. energy: -0.000 local terms energy: -26.979291 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -7.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -35.427850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.427850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.427850 (E_RNA) where: Base-Base interactions energy: -11.306 where: short stacking energy: -11.306 Base-Backbone interact. energy: -0.121 local terms energy: -24.000600 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -5.364 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: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -30.644819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.644819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.644819 (E_RNA) where: Base-Base interactions energy: -8.263 where: short stacking energy: -8.263 Base-Backbone interact. energy: 1.066 local terms energy: -23.447724 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -2.732 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: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -39.442447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.442447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.442447 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.000 local terms energy: -25.680845 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -34.579880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.579880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.579880 (E_RNA) where: Base-Base interactions energy: -12.771 where: short stacking energy: -12.771 Base-Backbone interact. energy: -0.003 local terms energy: -21.806391 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.811 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -42.038704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.038704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.038704 (E_RNA) where: Base-Base interactions energy: -16.678 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.002 local terms energy: -25.357873 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -31.335828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.335828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.335828 (E_RNA) where: Base-Base interactions energy: -8.638 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.000 local terms energy: -22.697908 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -35.065869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.065869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.065869 (E_RNA) where: Base-Base interactions energy: -14.789 where: short stacking energy: -14.789 Base-Backbone interact. energy: 0.008 local terms energy: -20.284645 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.320 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: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -28.873853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.873853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.873853 (E_RNA) where: Base-Base interactions energy: -9.014 where: short stacking energy: -9.014 Base-Backbone interact. energy: -0.093 local terms energy: -19.766712 where: bonds (distance) C4'-P energy: -3.269 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -33.528639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528639 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -8.720 Base-Backbone interact. energy: -0.090 local terms energy: -24.719100 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -38.442332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.442332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.442332 (E_RNA) where: Base-Base interactions energy: -14.835 where: short stacking energy: -14.835 Base-Backbone interact. energy: -0.070 local terms energy: -23.537908 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -36.037600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.037600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.037600 (E_RNA) where: Base-Base interactions energy: -12.238 where: short stacking energy: -12.238 Base-Backbone interact. energy: -0.000 local terms energy: -23.799793 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -4.060 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: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -35.119932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.119932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.119932 (E_RNA) where: Base-Base interactions energy: -14.718 where: short stacking energy: -14.718 Base-Backbone interact. energy: -0.004 local terms energy: -20.398382 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -37.050252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.050252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.050252 (E_RNA) where: Base-Base interactions energy: -13.820 where: short stacking energy: -13.820 Base-Backbone interact. energy: -0.000 local terms energy: -23.230584 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -37.760711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.760711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.760711 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.000 local terms energy: -26.227460 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -5.543 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: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -33.921151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.921151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.921151 (E_RNA) where: Base-Base interactions energy: -10.963 where: short stacking energy: -10.963 Base-Backbone interact. energy: -0.000 local terms energy: -22.957951 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -31.967548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.967548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.967548 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.003 local terms energy: -21.120721 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -5.164 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: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -35.081897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.081897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.081897 (E_RNA) where: Base-Base interactions energy: -10.960 where: short stacking energy: -10.960 Base-Backbone interact. energy: -0.000 local terms energy: -24.122130 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.168 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: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -26.708004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.708004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.708004 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -8.018 Base-Backbone interact. energy: -0.577 local terms energy: -17.427888 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: 1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -26.996992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996992 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.019 local terms energy: -17.845474 where: bonds (distance) C4'-P energy: -3.030 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -39.583133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.583133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.583133 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.048 local terms energy: -26.244226 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -39.909255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.909255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.909255 (E_RNA) where: Base-Base interactions energy: -14.103 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.015 local terms energy: -25.790468 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -34.944348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.944348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.944348 (E_RNA) where: Base-Base interactions energy: -9.764 where: short stacking energy: -9.764 Base-Backbone interact. energy: 0.076 local terms energy: -25.256782 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -38.385288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385288 (E_RNA) where: Base-Base interactions energy: -12.953 where: short stacking energy: -12.953 Base-Backbone interact. energy: -0.033 local terms energy: -25.399852 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -36.755121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.755121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.755121 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.000 local terms energy: -24.091960 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -31.104690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.104690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.104690 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -11.688 Base-Backbone interact. energy: -0.182 local terms energy: -18.705805 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -36.075709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075709 (E_RNA) where: Base-Base interactions energy: -13.356 where: short stacking energy: -13.356 Base-Backbone interact. energy: -0.006 local terms energy: -22.712839 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -3.258 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: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -33.687770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.687770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.687770 (E_RNA) where: Base-Base interactions energy: -11.970 where: short stacking energy: -11.970 Base-Backbone interact. energy: -0.000 local terms energy: -21.717652 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -28.881178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.881178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.881178 (E_RNA) where: Base-Base interactions energy: -8.385 where: short stacking energy: -8.385 Base-Backbone interact. energy: -0.027 local terms energy: -20.468700 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -4.806 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: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -27.209199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.209199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.209199 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.004 local terms energy: -19.882772 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -4.576 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: 1, replica: 8 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -37.965442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.965442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.965442 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.093 local terms energy: -24.588234 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -40.399188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.399188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.399188 (E_RNA) where: Base-Base interactions energy: -14.267 where: short stacking energy: -14.267 Base-Backbone interact. energy: -0.079 local terms energy: -26.053600 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -44.098755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.098755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.098755 (E_RNA) where: Base-Base interactions energy: -17.959 where: short stacking energy: -17.959 Base-Backbone interact. energy: -0.000 local terms energy: -26.139565 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -4.832 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: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -30.909491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.909491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.909491 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.212 local terms energy: -22.398495 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.063 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: 5, replica: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -32.162141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.162141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.162141 (E_RNA) where: Base-Base interactions energy: -9.546 where: short stacking energy: -9.546 Base-Backbone interact. energy: 0.431 local terms energy: -23.047082 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.706 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: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -33.745258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745258 (E_RNA) where: Base-Base interactions energy: -11.729 where: short stacking energy: -11.729 Base-Backbone interact. energy: -0.133 local terms energy: -21.883315 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -28.400969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.400969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.400969 (E_RNA) where: Base-Base interactions energy: -7.534 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.045 local terms energy: -20.822147 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.701 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: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -28.168400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.168400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.168400 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.093 local terms energy: -19.397533 where: bonds (distance) C4'-P energy: -3.617 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -25.992144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.992144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.992144 (E_RNA) where: Base-Base interactions energy: -6.633 where: short stacking energy: -6.633 Base-Backbone interact. energy: -0.000 local terms energy: -19.359156 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.874 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: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -32.531675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.531675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.531675 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.010 local terms energy: -22.509307 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -34.451285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451285 (E_RNA) where: Base-Base interactions energy: -13.988 where: short stacking energy: -13.988 Base-Backbone interact. energy: -0.001 local terms energy: -20.462592 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -4.201 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: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -40.820112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.820112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.820112 (E_RNA) where: Base-Base interactions energy: -17.128 where: short stacking energy: -17.128 Base-Backbone interact. energy: -0.002 local terms energy: -23.689507 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -37.110451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110451 (E_RNA) where: Base-Base interactions energy: -14.055 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.000 local terms energy: -23.055612 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -33.255228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.255228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.255228 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.000 local terms energy: -22.769279 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -35.549920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.549920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.549920 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.000 local terms energy: -23.824955 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -35.558779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.558779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.558779 (E_RNA) where: Base-Base interactions energy: -11.997 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.004 local terms energy: -23.557921 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -30.543067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.543067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.543067 (E_RNA) where: Base-Base interactions energy: -8.946 where: short stacking energy: -8.946 Base-Backbone interact. energy: -0.001 local terms energy: -21.596584 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -5.113 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: 8, replica: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -29.035997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.035997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.035997 (E_RNA) where: Base-Base interactions energy: -7.261 where: short stacking energy: -7.261 Base-Backbone interact. energy: -0.057 local terms energy: -21.717684 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.044 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: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -27.975930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.975930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.975930 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.001 local terms energy: -18.426024 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -1.265 tors. eta vs tors. theta energy: -0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -26.558895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.558895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.558895 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: -9.160 Base-Backbone interact. energy: -0.200 local terms energy: -17.199236 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.108 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: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -43.697789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.697789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.697789 (E_RNA) where: Base-Base interactions energy: -19.133 where: short stacking energy: -19.133 Base-Backbone interact. energy: -0.000 local terms energy: -24.564741 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -5.175 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: 2, replica: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -39.069984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.069984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.069984 (E_RNA) where: Base-Base interactions energy: -13.957 where: short stacking energy: -13.957 Base-Backbone interact. energy: -0.049 local terms energy: -25.063886 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.057 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: 3, replica: 5 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -37.071042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.071042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.071042 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.068 local terms energy: -24.332126 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -4.255 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: 483 Temperature: 1.050000 Total energy: -36.667073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.667073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.667073 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -12.814 Base-Backbone interact. energy: -0.000 local terms energy: -23.853372 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -34.156376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.156376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.156376 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.000 local terms energy: -21.181073 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -29.814011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.814011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.814011 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.007 local terms energy: -16.978166 where: bonds (distance) C4'-P energy: -2.881 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -37.392241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.392241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.392241 (E_RNA) where: Base-Base interactions energy: -14.893 where: short stacking energy: -14.893 Base-Backbone interact. energy: -0.000 local terms energy: -22.498768 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -1.323 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -30.961772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.961772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.961772 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.000 local terms energy: -22.239461 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -2.570 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: 9, replica: 2 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -34.028680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.028680 (E_RNA) where: Base-Base interactions energy: -11.489 where: short stacking energy: -11.489 Base-Backbone interact. energy: -1.146 local terms energy: -21.392840 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -28.338483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.338483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.338483 (E_RNA) where: Base-Base interactions energy: -8.564 where: short stacking energy: -8.564 Base-Backbone interact. energy: 0.632 local terms energy: -20.406754 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -38.381128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.381128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.381128 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.000 local terms energy: -26.239211 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -43.330153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.330153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.330153 (E_RNA) where: Base-Base interactions energy: -18.113 where: short stacking energy: -18.113 Base-Backbone interact. energy: -0.019 local terms energy: -25.197413 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -41.107495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.107495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.107495 (E_RNA) where: Base-Base interactions energy: -16.143 where: short stacking energy: -16.143 Base-Backbone interact. energy: -0.000 local terms energy: -24.964124 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -36.126266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.126266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.126266 (E_RNA) where: Base-Base interactions energy: -12.955 where: short stacking energy: -12.955 Base-Backbone interact. energy: -0.026 local terms energy: -23.145376 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -2.946 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -34.083731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.083731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.083731 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.012 local terms energy: -22.390124 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.734 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -38.096394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.096394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.096394 (E_RNA) where: Base-Base interactions energy: -16.039 where: short stacking energy: -16.039 Base-Backbone interact. energy: -0.000 local terms energy: -22.057807 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.659 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -28.952112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.952112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.952112 (E_RNA) where: Base-Base interactions energy: -9.994 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.775 local terms energy: -18.183373 where: bonds (distance) C4'-P energy: -1.250 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -28.118861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.118861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.118861 (E_RNA) where: Base-Base interactions energy: -7.825 where: short stacking energy: -7.825 Base-Backbone interact. energy: 0.000 local terms energy: -20.293760 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -3.538 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: 9, replica: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -26.262741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.262741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.262741 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: 0.311 local terms energy: -18.116052 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -2.892 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.134 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: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -28.260726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.260726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.260726 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.009 local terms energy: -18.135008 where: bonds (distance) C4'-P energy: -2.889 bonds (distance) P-C4' energy: -2.166 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -37.635037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.635037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.635037 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.017 local terms energy: -22.886687 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -4.409 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: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -39.551616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.551616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.551616 (E_RNA) where: Base-Base interactions energy: -17.748 where: short stacking energy: -17.748 Base-Backbone interact. energy: -0.010 local terms energy: -21.794254 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -2.804 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: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -37.088052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.088052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.088052 (E_RNA) where: Base-Base interactions energy: -11.919 where: short stacking energy: -11.919 Base-Backbone interact. energy: -0.008 local terms energy: -25.161355 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -36.919038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.919038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.919038 (E_RNA) where: Base-Base interactions energy: -12.237 where: short stacking energy: -12.237 Base-Backbone interact. energy: -0.032 local terms energy: -24.650677 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -37.706987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.706987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.706987 (E_RNA) where: Base-Base interactions energy: -15.338 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.001 local terms energy: -22.368193 where: bonds (distance) C4'-P energy: -2.839 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -34.100126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.100126 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.086 local terms energy: -22.997255 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.132 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: 7, replica: 3 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -33.091480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.091480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.091480 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.607 Base-Backbone interact. energy: -0.011 local terms energy: -19.473205 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -3.482 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -4.721 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: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -32.446426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.446426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.446426 (E_RNA) where: Base-Base interactions energy: -10.080 where: short stacking energy: -10.080 Base-Backbone interact. energy: -0.038 local terms energy: -22.327672 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -36.392509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.392509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.392509 (E_RNA) where: Base-Base interactions energy: -13.443 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.000 local terms energy: -22.949265 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -31.589862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.589862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.589862 (E_RNA) where: Base-Base interactions energy: -10.542 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.000 local terms energy: -21.048008 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -44.632580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.632580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.632580 (E_RNA) where: Base-Base interactions energy: -16.529 where: short stacking energy: -16.529 Base-Backbone interact. energy: -0.000 local terms energy: -28.103860 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -41.281425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.281425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.281425 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -13.101 Base-Backbone interact. energy: -0.006 local terms energy: -28.173616 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -4.859 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: 486 Temperature: 1.000000 Total energy: -36.212787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.212787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.212787 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -14.120 Base-Backbone interact. energy: -0.001 local terms energy: -22.091033 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -1.396 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -35.941176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.941176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.941176 (E_RNA) where: Base-Base interactions energy: -12.350 where: short stacking energy: -12.350 Base-Backbone interact. energy: -0.000 local terms energy: -23.591397 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -32.633614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.633614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.633614 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.026 local terms energy: -22.610286 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -26.626211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.626211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.626211 (E_RNA) where: Base-Base interactions energy: -7.811 where: short stacking energy: -7.811 Base-Backbone interact. energy: -0.004 local terms energy: -18.811122 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: 0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -34.305119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.305119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.305119 (E_RNA) where: Base-Base interactions energy: -12.887 where: short stacking energy: -12.887 Base-Backbone interact. energy: -0.000 local terms energy: -21.418505 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -26.568694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.568694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.568694 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.555 Base-Backbone interact. energy: -0.098 local terms energy: -18.054042 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -31.977042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.977042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.977042 (E_RNA) where: Base-Base interactions energy: -11.011 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.003 local terms energy: -20.963542 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -28.666605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.666605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.666605 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.065 local terms energy: -19.803695 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -1.077 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -36.466322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.466322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.466322 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.072 local terms energy: -23.565216 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.701 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: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -34.090618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.090618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.090618 (E_RNA) where: Base-Base interactions energy: -15.053 where: short stacking energy: -15.053 Base-Backbone interact. energy: -0.045 local terms energy: -18.991789 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -1.188 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: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -35.532399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.532399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.532399 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: 1.062 local terms energy: -26.328834 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -36.141829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141829 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.059 local terms energy: -22.770754 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -37.399598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.399598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.399598 (E_RNA) where: Base-Base interactions energy: -13.182 where: short stacking energy: -13.371 Base-Backbone interact. energy: -0.000 local terms energy: -24.217598 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -4.468 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: 6, replica: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -31.213459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.213459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.213459 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.011 local terms energy: -21.858318 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -30.096954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.096954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.096954 (E_RNA) where: Base-Base interactions energy: -9.570 where: short stacking energy: -9.570 Base-Backbone interact. energy: -0.002 local terms energy: -20.525208 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.540 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: 487 Temperature: 1.250000 Total energy: -32.745315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.745315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.745315 (E_RNA) where: Base-Base interactions energy: -10.081 where: short stacking energy: -10.081 Base-Backbone interact. energy: -0.001 local terms energy: -22.663243 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -29.919732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919732 (E_RNA) where: Base-Base interactions energy: -12.321 where: short stacking energy: -12.321 Base-Backbone interact. energy: -0.006 local terms energy: -17.592420 where: bonds (distance) C4'-P energy: -3.456 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -29.108869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.108869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.108869 (E_RNA) where: Base-Base interactions energy: -9.673 where: short stacking energy: -9.673 Base-Backbone interact. energy: -0.143 local terms energy: -19.292783 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: 2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -39.545023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545023 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.000 local terms energy: -25.785541 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -38.505358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.505358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.505358 (E_RNA) where: Base-Base interactions energy: -14.041 where: short stacking energy: -14.041 Base-Backbone interact. energy: -0.003 local terms energy: -24.461640 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -35.047534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.047534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.047534 (E_RNA) where: Base-Base interactions energy: -9.754 where: short stacking energy: -9.754 Base-Backbone interact. energy: -0.000 local terms energy: -25.293797 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -5.258 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: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -33.563655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.563655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.563655 (E_RNA) where: Base-Base interactions energy: -12.444 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.000 local terms energy: -21.119727 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -38.407735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.407735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.407735 (E_RNA) where: Base-Base interactions energy: -14.878 where: short stacking energy: -14.878 Base-Backbone interact. energy: -0.000 local terms energy: -23.529788 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -29.746466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.746466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.746466 (E_RNA) where: Base-Base interactions energy: -8.839 where: short stacking energy: -8.839 Base-Backbone interact. energy: -0.009 local terms energy: -20.898966 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -5.068 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: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -36.382464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.382464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.382464 (E_RNA) where: Base-Base interactions energy: -11.319 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.001 local terms energy: -25.062689 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -32.335217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.335217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.335217 (E_RNA) where: Base-Base interactions energy: -10.442 where: short stacking energy: -10.442 Base-Backbone interact. energy: -0.000 local terms energy: -21.893370 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -31.011758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.011758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.011758 (E_RNA) where: Base-Base interactions energy: -5.525 where: short stacking energy: -5.525 Base-Backbone interact. energy: 0.150 local terms energy: -25.637064 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -32.562946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.562946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.562946 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: -0.057 local terms energy: -19.811157 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -40.851099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.851099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.851099 (E_RNA) where: Base-Base interactions energy: -16.569 where: short stacking energy: -16.569 Base-Backbone interact. energy: -0.001 local terms energy: -24.281460 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.036 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -39.148089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.148089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.148089 (E_RNA) where: Base-Base interactions energy: -13.823 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.000 local terms energy: -25.325397 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -3.979 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -38.767482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.767482 (E_RNA) where: Base-Base interactions energy: -16.153 where: short stacking energy: -16.153 Base-Backbone interact. energy: -0.001 local terms energy: -22.613962 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -3.803 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -5.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -38.507633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.507633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.507633 (E_RNA) where: Base-Base interactions energy: -13.210 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.003 local terms energy: -25.294780 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -36.838784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.838784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.838784 (E_RNA) where: Base-Base interactions energy: -13.962 where: short stacking energy: -13.962 Base-Backbone interact. energy: -0.021 local terms energy: -22.855695 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -36.089481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.089481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.089481 (E_RNA) where: Base-Base interactions energy: -12.818 where: short stacking energy: -12.818 Base-Backbone interact. energy: 0.740 local terms energy: -24.011097 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -3.235 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: 7, replica: 2 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -34.773603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.773603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.773603 (E_RNA) where: Base-Base interactions energy: -12.707 where: short stacking energy: -12.707 Base-Backbone interact. energy: -0.027 local terms energy: -22.038900 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -3.025 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: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -34.809832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809832 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.000 local terms energy: -24.092444 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -30.701791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.701791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.701791 (E_RNA) where: Base-Base interactions energy: -9.226 where: short stacking energy: -9.226 Base-Backbone interact. energy: -0.042 local terms energy: -21.434238 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -3.310 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.731 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: 10, replica: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -26.679839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.679839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.679839 (E_RNA) where: Base-Base interactions energy: -3.847 where: short stacking energy: -3.847 Base-Backbone interact. energy: -0.721 local terms energy: -22.112436 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.032 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: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -35.413128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.413128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.413128 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.028 local terms energy: -24.640996 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.098 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: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -39.334261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.334261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.334261 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -13.115 Base-Backbone interact. energy: -0.000 local terms energy: -26.219367 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -34.017067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.017067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.017067 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.015 local terms energy: -20.463212 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -34.863103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.863103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.863103 (E_RNA) where: Base-Base interactions energy: -12.681 where: short stacking energy: -12.681 Base-Backbone interact. energy: -0.000 local terms energy: -22.182346 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -36.960835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.960835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.960835 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.000 local terms energy: -24.329847 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -30.849600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.849600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.849600 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.003 local terms energy: -21.213027 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -2.454 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: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -33.038627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038627 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.005 local terms energy: -22.993718 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -2.926 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.807 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: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -30.249336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.249336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.249336 (E_RNA) where: Base-Base interactions energy: -9.965 where: short stacking energy: -9.965 Base-Backbone interact. energy: -0.002 local terms energy: -20.281655 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -31.576280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.576280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.576280 (E_RNA) where: Base-Base interactions energy: -12.143 where: short stacking energy: -12.143 Base-Backbone interact. energy: -0.011 local terms energy: -19.422328 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -3.498 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -2.739 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: 10, replica: 5 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -28.093626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.093626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.093626 (E_RNA) where: Base-Base interactions energy: -5.139 where: short stacking energy: -5.139 Base-Backbone interact. energy: -0.002 local terms energy: -22.952472 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -37.191702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.191702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.191702 (E_RNA) where: Base-Base interactions energy: -11.572 where: short stacking energy: -11.572 Base-Backbone interact. energy: -0.097 local terms energy: -25.521977 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -38.597837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.597837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.597837 (E_RNA) where: Base-Base interactions energy: -11.794 where: short stacking energy: -11.794 Base-Backbone interact. energy: -0.000 local terms energy: -26.804061 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -34.787012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.787012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.787012 (E_RNA) where: Base-Base interactions energy: -10.218 where: short stacking energy: -10.218 Base-Backbone interact. energy: -0.009 local terms energy: -24.560280 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -30.904793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.904793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.904793 (E_RNA) where: Base-Base interactions energy: -9.438 where: short stacking energy: -9.438 Base-Backbone interact. energy: 0.390 local terms energy: -21.856905 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -2.790 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: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -36.640284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.640284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.640284 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.000 local terms energy: -22.348111 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -34.679167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.679167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.679167 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.087 local terms energy: -25.107955 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -35.272091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.272091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.272091 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.000 local terms energy: -21.780700 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -25.398482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.398482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.398482 (E_RNA) where: Base-Base interactions energy: -9.584 where: short stacking energy: -9.584 Base-Backbone interact. energy: -0.274 local terms energy: -15.540215 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -3.141 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -4.730 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: 2 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -27.645349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.645349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.645349 (E_RNA) where: Base-Base interactions energy: -8.970 where: short stacking energy: -8.970 Base-Backbone interact. energy: -0.000 local terms energy: -18.674982 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -1.652 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: 10, replica: 5 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -28.228162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.228162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.228162 (E_RNA) where: Base-Base interactions energy: -8.378 where: short stacking energy: -8.378 Base-Backbone interact. energy: -0.103 local terms energy: -19.746790 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -43.266285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.266285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.266285 (E_RNA) where: Base-Base interactions energy: -17.967 where: short stacking energy: -17.967 Base-Backbone interact. energy: -0.000 local terms energy: -25.298821 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -0.768 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -40.323995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.323995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.323995 (E_RNA) where: Base-Base interactions energy: -14.353 where: short stacking energy: -14.353 Base-Backbone interact. energy: -0.090 local terms energy: -25.880857 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -40.942012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.942012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.942012 (E_RNA) where: Base-Base interactions energy: -17.118 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.057 local terms energy: -23.766907 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -40.628093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.628093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.628093 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.000 local terms energy: -24.163158 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -33.900801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.900801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.900801 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.032 local terms energy: -23.246225 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -33.025757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.025757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.025757 (E_RNA) where: Base-Base interactions energy: -10.427 where: short stacking energy: -10.427 Base-Backbone interact. energy: -1.263 local terms energy: -21.336369 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -2.952 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: 7, replica: 3 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -29.335867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.335867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.335867 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.091 local terms energy: -21.572602 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: 0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -28.972181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.972181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.972181 (E_RNA) where: Base-Base interactions energy: -8.435 where: short stacking energy: -8.435 Base-Backbone interact. energy: -0.000 local terms energy: -20.536822 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -31.668322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668322 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.030 local terms energy: -21.402224 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.275 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: 2 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -30.722291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722291 (E_RNA) where: Base-Base interactions energy: -8.711 where: short stacking energy: -8.711 Base-Backbone interact. energy: -0.483 local terms energy: -21.527407 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -3.134 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: 1, replica: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -38.518681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.518681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.518681 (E_RNA) where: Base-Base interactions energy: -14.300 where: short stacking energy: -14.300 Base-Backbone interact. energy: -0.090 local terms energy: -24.128582 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -40.039325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.039325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.039325 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -13.204 Base-Backbone interact. energy: -0.001 local terms energy: -26.834359 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -37.829866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.829866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.829866 (E_RNA) where: Base-Base interactions energy: -13.398 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.005 local terms energy: -24.427105 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.846 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: 4, replica: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -31.952517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.952517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.952517 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.069 local terms energy: -21.808810 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.062 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: 5, replica: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -32.151413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151413 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.008 local terms energy: -23.901433 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -3.597 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: 6, replica: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -36.476836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.476836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.476836 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.019 local terms energy: -22.695813 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -31.789610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.789610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.789610 (E_RNA) where: Base-Base interactions energy: -9.574 where: short stacking energy: -9.574 Base-Backbone interact. energy: -0.031 local terms energy: -22.184061 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -30.589642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.589642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.589642 (E_RNA) where: Base-Base interactions energy: -9.291 where: short stacking energy: -9.291 Base-Backbone interact. energy: -0.030 local terms energy: -21.268033 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -30.544008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.544008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.544008 (E_RNA) where: Base-Base interactions energy: -7.830 where: short stacking energy: -7.830 Base-Backbone interact. energy: -0.049 local terms energy: -22.665484 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -31.750199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.750199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.750199 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.103 local terms energy: -18.646252 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -4.989 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: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -40.683625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.683625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.683625 (E_RNA) where: Base-Base interactions energy: -14.927 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.000 local terms energy: -25.756109 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -36.685302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.685302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.685302 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.000 local terms energy: -23.354453 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -39.770400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.770400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.770400 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.966 Base-Backbone interact. energy: -0.000 local terms energy: -24.804725 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.342 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: 4, replica: 9 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -35.461799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.461799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.461799 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.000 local terms energy: -22.922732 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.779 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: 5, replica: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -32.781340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.781340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.781340 (E_RNA) where: Base-Base interactions energy: -12.667 where: short stacking energy: -12.667 Base-Backbone interact. energy: -0.002 local terms energy: -20.112369 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -4.371 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: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -40.422771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.422771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.422771 (E_RNA) where: Base-Base interactions energy: -16.407 where: short stacking energy: -15.181 Base-Backbone interact. energy: -0.001 local terms energy: -24.014989 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -30.265024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.265024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.265024 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.413 local terms energy: -21.567741 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.169 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: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -30.439155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.439155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.439155 (E_RNA) where: Base-Base interactions energy: -11.197 where: short stacking energy: -11.197 Base-Backbone interact. energy: -0.000 local terms energy: -19.241697 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -28.216713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.216713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.216713 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.004 local terms energy: -20.504888 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -27.995908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.995908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.995908 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.003 local terms energy: -19.751386 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.309 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: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -36.735788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.735788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.735788 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.598 Base-Backbone interact. energy: -0.000 local terms energy: -23.137326 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.609 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: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -36.131595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.131595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.131595 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.012 local terms energy: -21.385596 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -41.142412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.142412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.142412 (E_RNA) where: Base-Base interactions energy: -14.797 where: short stacking energy: -14.797 Base-Backbone interact. energy: -0.092 local terms energy: -26.253752 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -4.315 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: 3 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -36.724172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.724172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.724172 (E_RNA) where: Base-Base interactions energy: -16.391 where: short stacking energy: -16.391 Base-Backbone interact. energy: 0.585 local terms energy: -20.918228 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.852 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.888 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: 5, replica: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -33.522946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.522946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.522946 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.088 local terms energy: -24.356695 where: bonds (distance) C4'-P energy: -3.975 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.865 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: 6, replica: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -34.797610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.797610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.797610 (E_RNA) where: Base-Base interactions energy: -12.052 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.049 local terms energy: -22.696621 where: bonds (distance) C4'-P energy: -4.280 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -32.700230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.700230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.700230 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.000 local terms energy: -23.524782 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -29.964524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.964524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.964524 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.028 local terms energy: -21.894088 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -30.454733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.454733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.454733 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.000 local terms energy: -22.819846 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: 0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -30.787381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787381 (E_RNA) where: Base-Base interactions energy: -11.883 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.000 local terms energy: -18.903979 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -3.111 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: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -43.261396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.261396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.261396 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.000 local terms energy: -25.014727 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -40.295427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.295427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.295427 (E_RNA) where: Base-Base interactions energy: -16.428 where: short stacking energy: -16.428 Base-Backbone interact. energy: -0.065 local terms energy: -23.802974 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.013 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: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -36.820861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.820861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.820861 (E_RNA) where: Base-Base interactions energy: -16.388 where: short stacking energy: -16.388 Base-Backbone interact. energy: -0.000 local terms energy: -20.432859 where: bonds (distance) C4'-P energy: -2.358 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -35.000037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.000037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.000037 (E_RNA) where: Base-Base interactions energy: -14.713 where: short stacking energy: -14.713 Base-Backbone interact. energy: -0.000 local terms energy: -20.287017 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -1.766 tors. eta vs tors. theta energy: 0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -33.966981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.966981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.966981 (E_RNA) where: Base-Base interactions energy: -11.158 where: short stacking energy: -12.858 Base-Backbone interact. energy: -0.000 local terms energy: -22.808504 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.749 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: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -36.552870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.552870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.552870 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.001 local terms energy: -24.698324 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -34.640956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.640956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.640956 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -12.906 Base-Backbone interact. energy: -0.000 local terms energy: -22.201955 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -0.515 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -30.315971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315971 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.004 local terms energy: -22.332298 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.593 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: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -26.709115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.709115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.709115 (E_RNA) where: Base-Base interactions energy: -5.386 where: short stacking energy: -5.386 Base-Backbone interact. energy: -0.005 local terms energy: -21.318265 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.646 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: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -30.845623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.845623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.845623 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -8.421 Base-Backbone interact. energy: -0.035 local terms energy: -22.896593 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -43.625469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.625469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.625469 (E_RNA) where: Base-Base interactions energy: -18.686 where: short stacking energy: -18.686 Base-Backbone interact. energy: -0.000 local terms energy: -24.939714 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -41.911558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.911558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.911558 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.001 local terms energy: -27.840439 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -41.256220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.256220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.256220 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -13.293 Base-Backbone interact. energy: -0.000 local terms energy: -27.963373 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -6.012 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: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -39.108669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.108669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.108669 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.000 local terms energy: -25.909667 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -6.369 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: 497 Temperature: 1.100000 Total energy: -31.526943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.526943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.526943 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: 0.405 local terms energy: -23.514341 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -35.998638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.998638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.998638 (E_RNA) where: Base-Base interactions energy: -12.636 where: short stacking energy: -12.636 Base-Backbone interact. energy: -0.009 local terms energy: -23.353614 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -29.142983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.142983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.142983 (E_RNA) where: Base-Base interactions energy: -8.885 where: short stacking energy: -8.885 Base-Backbone interact. energy: 0.354 local terms energy: -20.611516 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -29.892172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.892172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.892172 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.234 local terms energy: -17.412510 where: bonds (distance) C4'-P energy: -2.466 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -3.714 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: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -28.215906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.215906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.215906 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.053 local terms energy: -20.341964 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -4.157 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: 10, replica: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -34.163860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.163860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.163860 (E_RNA) where: Base-Base interactions energy: -14.425 where: short stacking energy: -14.425 Base-Backbone interact. energy: -0.084 local terms energy: -19.654712 where: bonds (distance) C4'-P energy: -2.322 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -39.901673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.901673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.901673 (E_RNA) where: Base-Base interactions energy: -16.462 where: short stacking energy: -16.462 Base-Backbone interact. energy: -0.034 local terms energy: -23.405520 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -35.984881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.984881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.984881 (E_RNA) where: Base-Base interactions energy: -13.093 where: short stacking energy: -13.093 Base-Backbone interact. energy: -0.086 local terms energy: -22.805745 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -39.254864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.254864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.254864 (E_RNA) where: Base-Base interactions energy: -13.575 where: short stacking energy: -13.575 Base-Backbone interact. energy: -0.011 local terms energy: -25.668710 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -34.555525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555525 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.000 local terms energy: -21.914013 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -36.645099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.645099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.645099 (E_RNA) where: Base-Base interactions energy: -13.606 where: short stacking energy: -13.606 Base-Backbone interact. energy: -0.001 local terms energy: -23.038522 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -3.843 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: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -33.764021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.764021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.764021 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.010 local terms energy: -23.003575 where: bonds (distance) C4'-P energy: -3.986 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -35.604775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.604775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.604775 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.352 Base-Backbone interact. energy: -0.001 local terms energy: -23.251794 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: 0.665 tors. eta vs tors. theta energy: -6.308 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: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -31.975098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975098 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.696 Base-Backbone interact. energy: -0.049 local terms energy: -22.230703 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -27.851176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.851176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.851176 (E_RNA) where: Base-Base interactions energy: -7.524 where: short stacking energy: -7.524 Base-Backbone interact. energy: -0.099 local terms energy: -20.227490 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: 1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -28.692663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.692663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.692663 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.018 local terms energy: -20.704456 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.104 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: 3 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -36.950471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.950471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.950471 (E_RNA) where: Base-Base interactions energy: -12.382 where: short stacking energy: -12.382 Base-Backbone interact. energy: -0.086 local terms energy: -24.481499 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -39.968326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.968326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.968326 (E_RNA) where: Base-Base interactions energy: -16.508 where: short stacking energy: -16.508 Base-Backbone interact. energy: -1.152 local terms energy: -22.308274 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.073 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: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -40.962678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.962678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.962678 (E_RNA) where: Base-Base interactions energy: -14.766 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.000 local terms energy: -26.196917 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -40.603297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.603297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.603297 (E_RNA) where: Base-Base interactions energy: -16.199 where: short stacking energy: -16.199 Base-Backbone interact. energy: -0.000 local terms energy: -24.404111 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -36.321638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.321638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.321638 (E_RNA) where: Base-Base interactions energy: -14.072 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.000 local terms energy: -22.249829 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -31.408342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.408342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.408342 (E_RNA) where: Base-Base interactions energy: -6.502 where: short stacking energy: -6.502 Base-Backbone interact. energy: -0.152 local terms energy: -24.754315 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -27.775763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.775763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.775763 (E_RNA) where: Base-Base interactions energy: -10.072 where: short stacking energy: -5.888 Base-Backbone interact. energy: -0.104 local terms energy: -17.600303 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -26.233017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.233017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.233017 (E_RNA) where: Base-Base interactions energy: -5.114 where: short stacking energy: -5.114 Base-Backbone interact. energy: -0.060 local terms energy: -21.059051 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -30.741333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.741333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.741333 (E_RNA) where: Base-Base interactions energy: -9.058 where: short stacking energy: -9.058 Base-Backbone interact. energy: -0.005 local terms energy: -21.678667 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.022 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: 10, replica: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -27.536556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.536556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.536556 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.000 local terms energy: -17.528153 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -2.147 flat angles P-C4'-P energy: -1.863 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -40.887185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.887185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.887185 (E_RNA) where: Base-Base interactions energy: -14.648 where: short stacking energy: -14.648 Base-Backbone interact. energy: -0.000 local terms energy: -26.239147 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -40.130244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.130244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.130244 (E_RNA) where: Base-Base interactions energy: -13.108 where: short stacking energy: -13.108 Base-Backbone interact. energy: -1.924 local terms energy: -25.098610 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -35.201837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.201837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.201837 (E_RNA) where: Base-Base interactions energy: -8.743 where: short stacking energy: -8.743 Base-Backbone interact. energy: -0.000 local terms energy: -26.458859 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -35.318361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.318361 (E_RNA) where: Base-Base interactions energy: -11.315 where: short stacking energy: -11.428 Base-Backbone interact. energy: -0.015 local terms energy: -23.988349 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -35.317273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.317273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.317273 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.002 local terms energy: -22.400600 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -36.593137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.593137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.593137 (E_RNA) where: Base-Base interactions energy: -13.278 where: short stacking energy: -13.278 Base-Backbone interact. energy: -0.000 local terms energy: -23.314550 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -34.753500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.753500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.753500 (E_RNA) where: Base-Base interactions energy: -10.937 where: short stacking energy: -10.937 Base-Backbone interact. energy: -0.038 local terms energy: -23.778784 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -31.696148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.696148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.696148 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.007 local terms energy: -19.263567 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -0.962 tors. eta vs tors. theta energy: -0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -32.702144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.702144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.702144 (E_RNA) where: Base-Base interactions energy: -11.134 where: short stacking energy: -11.134 Base-Backbone interact. energy: -0.012 local terms energy: -21.555991 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -2.538 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: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -31.314020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.314020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.314020 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.095 local terms energy: -22.279226 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -39.363961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.363961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.363961 (E_RNA) where: Base-Base interactions energy: -12.585 where: short stacking energy: -12.585 Base-Backbone interact. energy: -0.000 local terms energy: -26.779290 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.681 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: 2, replica: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -40.900545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.900545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.900545 (E_RNA) where: Base-Base interactions energy: -16.704 where: short stacking energy: -16.704 Base-Backbone interact. energy: -0.009 local terms energy: -24.186670 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -4.670 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: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -36.107411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.107411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.107411 (E_RNA) where: Base-Base interactions energy: -9.100 where: short stacking energy: -9.100 Base-Backbone interact. energy: -0.000 local terms energy: -27.007050 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -33.053864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.053864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.053864 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.155 local terms energy: -23.480933 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.527 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: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -35.725636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.725636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.725636 (E_RNA) where: Base-Base interactions energy: -13.020 where: short stacking energy: -13.020 Base-Backbone interact. energy: -0.050 local terms energy: -22.655157 where: bonds (distance) C4'-P energy: -5.257 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -31.478760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.478760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.478760 (E_RNA) where: Base-Base interactions energy: -10.502 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.000 local terms energy: -20.976658 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -3.721 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -29.857607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.857607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.857607 (E_RNA) where: Base-Base interactions energy: -5.734 where: short stacking energy: -5.697 Base-Backbone interact. energy: -0.101 local terms energy: -24.022775 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -0.921 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: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -29.584410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.584410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.584410 (E_RNA) where: Base-Base interactions energy: -9.945 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.010 local terms energy: -19.629881 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -1.554 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -30.796096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.796096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.796096 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.020 local terms energy: -19.844931 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -1.617 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: 10, replica: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -31.045148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.045148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.045148 (E_RNA) where: Base-Base interactions energy: -12.993 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.000 local terms energy: -18.051650 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.371 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -2.499 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 8811379 moves confirmed later: 11519001 all moves confirmed: 20330380 percent of confirmed moves: 2.541298 current total energy: -18.569765 recalc. total energy: -18.569765 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 8895135 moves confirmed later: 11654496 all moves confirmed: 20549631 percent of confirmed moves: 2.568704 current total energy: -13.288268 recalc. total energy: -13.288268 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 8845983 moves confirmed later: 11597716 all moves confirmed: 20443699 percent of confirmed moves: 2.555462 current total energy: -10.956601 recalc. total energy: -10.956601 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 8901228 moves confirmed later: 11670975 all moves confirmed: 20572203 percent of confirmed moves: 2.571525 current total energy: -16.886155 recalc. total energy: -16.886155 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 8830678 moves confirmed later: 11561393 all moves confirmed: 20392071 percent of confirmed moves: 2.549009 current total energy: -9.735908 recalc. total energy: -9.735908 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 8968551 moves confirmed later: 11775012 all moves confirmed: 20743563 percent of confirmed moves: 2.592945 current total energy: -4.246300 recalc. total energy: -4.246300 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 8869084 moves confirmed later: 11623184 all moves confirmed: 20492268 percent of confirmed moves: 2.561533 current total energy: -5.911441 recalc. total energy: -5.911441 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 8818926 moves confirmed later: 11546234 all moves confirmed: 20365160 percent of confirmed moves: 2.545645 current total energy: -11.884195 recalc. total energy: -11.884195 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8906477 moves confirmed later: 11691535 all moves confirmed: 20598012 percent of confirmed moves: 2.574752 current total energy: -8.808949 recalc. total energy: -8.808949 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8891794 moves confirmed later: 11653136 all moves confirmed: 20544930 percent of confirmed moves: 2.568116 current total energy: -3.500868 recalc. total energy: -3.500868 out arg RESULTS//1/5mpg_rna-0fa4243c_01 Time of doing 8000000 iterations: 299.324 seconds